Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H10ClNO3

Suppliers	Catalog Number
Matrix Scientific	061426
Enamine	EN300-11052

Database	Data ID
PubChem	2304955

M. W.

227.6443

CAS

41653-05-8

Similarity

N/A

ID: 56252

[1-(aminomethyl)cyclopropyl]methanol

$$$$ Data More

M. F.

C5H11NO

Suppliers	Catalog Number
ChemBridge	4020260
Matrix Scientific	061427
Life Chemicals	F2189-0622

Database	Data ID
PubChem	22379495

M. W.

101.14694

CAS

45434-02-4

Similarity

N/A

ID: 56253

ethyl N-{[1-(hydroxymethyl)cyclopropyl]methyl}carbamate

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Matrix Scientific	061428

Database	Data ID
PubChem	46779198

M. W.

173.2096

CAS

Similarity

N/A

ID: 56254

(2Z)-3-amino-4-carbamoyl-2-cyanobut-2-enoic acid

$$$$ Data

M. F.

C6H7N3O3

Suppliers	Catalog Number
Matrix Scientific	061429

Database	Data ID
PubChem	46779199

M. W.

169.13808

CAS

Similarity

N/A

ID: 56255

(pyridin-3-ylmethyl)[2-(pyrrolidine-1-sulfonyl)ethyl]amine

$$$$ Data

M. F.

C12H19N3O2S

Suppliers	Catalog Number
Matrix Scientific	061430

Database	Data ID
PubChem	46779200

M. W.

269.36316

CAS

Similarity

N/A

ID: 56256

[2-(piperidine-1-sulfonyl)ethyl](pyridin-3-ylmethyl)amine

$$$$ Data

M. F.

C13H21N3O2S

Suppliers	Catalog Number
Matrix Scientific	061431

Database	Data ID
PubChem	46779201

M. W.

283.38974

CAS

Similarity

N/A

ID: 56257

N-phenyl-2-[(pyridin-2-ylmethyl)amino]ethane-1-sulfonamide

$$$$ Data

M. F.

C14H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	061432

Database	Data ID
PubChem	46779204

M. W.

291.36868

CAS

Similarity

N/A

ID: 56258

N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2,2,2-trifluoroacetamide

$$$$ Data

M. F.

C11H18F3N3O2

Suppliers	Catalog Number
Matrix Scientific	061433

Database	Data ID
PubChem	45790883

M. W.

281.2747296

CAS

Similarity

N/A

ID: 56259

1,2,3,4-tetrahydroquinoline-2-carboxamide

$$$$ Data

M. F.

C10H12N2O

Suppliers	Catalog Number
Matrix Scientific	061434
InterBioScreen	BB_SC-7525
Enamine	EN300-61047

Database	Data ID
PubChem	22177094

M. W.

176.21508

CAS

91842-88-5

Similarity

N/A

ID: 56260

3-bromo-5-(propan-2-yl)-1H-1,2,4-triazole

$$$$ Data

M. F.

C5H8BrN3

Suppliers	Catalog Number
ChemBridge	4035465
Matrix Scientific	061435
InterBioScreen	BB_SC-7578

Database	Data ID
PubChem	45493723

M. W.

190.04112

CAS

141831-72-3

Similarity

N/A

ID: 56261

6-(2,3-dihydro-1H-inden-5-yloxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Matrix Scientific	061436

Database	Data ID
PubChem	28824816

M. W.

255.26862

CAS

Similarity

N/A

ID: 56262

2-[2-fluoro-3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C13H7F4NO3

Suppliers	Catalog Number
Matrix Scientific	061437

Database	Data ID
PubChem	46779206

M. W.

301.1931928

CAS

Similarity

N/A

ID: 56263

6-(4-bromo-3-methylphenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H10BrNO3

Suppliers	Catalog Number
Matrix Scientific	061438

Database	Data ID
PubChem	46779208

M. W.

308.1274

CAS

Similarity

N/A

ID: 56264

5-[2-chloro-3-(trifluoromethyl)phenoxy]furan-2-carboxylic acid

$$$$ Data

M. F.

C12H6ClF3O4

Suppliers	Catalog Number
Matrix Scientific	061439

Database	Data ID
PubChem	46779209

M. W.

306.6218496

CAS

Similarity

N/A

ID: 56265

2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C14H13NO5

Suppliers	Catalog Number
Matrix Scientific	061440
InterBioScreen	BB_SC-9891

Database	Data ID
PubChem	46779210

M. W.

275.25672

CAS

Similarity

N/A

ID: 56266

pyridine-2,5-dicarboxamide

$$$$ Data

M. F.

C7H7N3O2

Suppliers	Catalog Number
Matrix Scientific	061441

Database	Data ID
PubChem	9793923

M. W.

165.14938

CAS

4663-96-1

Similarity

N/A

ID: 56267

methyl 2-methyloxane-2-carboxylate

$$$$ Data

M. F.

C8H14O3

Suppliers	Catalog Number
Matrix Scientific	061442

Database	Data ID
PubChem	12252327

M. W.

158.19496

CAS

Similarity

N/A

ID: 56268

2-methyloxane-2-carboxylic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
ChemBridge	4018171
Matrix Scientific	061443

Database	Data ID
PubChem	12939291

M. W.

144.16838

CAS

4180-13-6

Similarity

N/A

ID: 56269

2-(oxan-3-yl)ethan-1-amine

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
ChemBridge	4036334
Matrix Scientific	061444

Database	Data ID
PubChem	19101440

M. W.

129.2001

CAS

98430-09-2

Similarity

N/A

ID: 56270

1-(pyridin-3-yl)propan-2-amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	4002035
Matrix Scientific	061445
A&J Pharmtech	AJA-O30842

Database	Data ID
PubChem	4712458

M. W.

136.19428

CAS

71271-61-9

Similarity

N/A

ID: 56271

2-methoxy-2-methylpropanoic acid

$$$$ Data More

M. F.

C5H10O3

Suppliers	Catalog Number
ChemBridge	4021500
Matrix Scientific	061446
Chemik	CHO0061

Database	Data ID
PubChem	9855465

M. W.

118.1311

CAS

13836-62-9

Similarity

N/A

ID: 56272

2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetic acid

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
ChemBridge	4032639
Matrix Scientific	061447

Database	Data ID
PubChem	20303805

M. W.

153.13538

CAS

21898-43-1

Similarity

N/A

ID: 56273

1-methyl-1H-indole-5-carbonitrile

$$$$ Data

M. F.

C10H8N2

Suppliers	Catalog Number
ChemBridge	4033772
Matrix Scientific	061448
Maybridge	CC41416

Database	Data ID
PubChem	11412513

M. W.

156.18392

CAS

91634-11-6

Similarity

N/A

ID: 56274

1-methyl-1H-indole-6-carbonitrile

$$$$ Data More

M. F.

C10H8N2

Suppliers	Catalog Number
ChemBridge	4032227
Matrix Scientific	061449
Apollo Scientific	OR8652

Database	Data ID
PubChem	15384493

M. W.

156.18392

CAS

20996-87-8

Similarity

N/A

ID: 56275

2-amino-5-(2-chloroethyl)pyrimidin-4-ol

$$$$ Data

M. F.

C6H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	061450

Database	Data ID
PubChem	46779212

M. W.

173.60022

CAS

Similarity

N/A

ID: 56276

5H,6H-furo[2,3-d]pyrimidin-2-amine

$$$$ Data

M. F.

C6H7N3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00170
ChemBridge	4032442
Matrix Scientific	061451

Database	Data ID
PubChem	19690783

M. W.

137.13928

CAS

88513-35-3

Similarity

N/A

ID: 56277

6-[(4-aminobutyl)(ethyl)amino]-1,2,3,4-tetrahydrophthalazine-1,4-dione

$$$$ Data

M. F.

C14H20N4O2

Suppliers	Catalog Number
Sigma Aldrich	A0156 269069 03000
Matrix Scientific	061452

Database	Data ID
PubChem	196441

M. W.

276.3342

CAS

66612-29-1

Similarity

N/A

ID: 56278

4-formyl-N-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H9NO3S

Suppliers	Catalog Number
ChemBridge	4002854
Matrix Scientific	061453

Database	Data ID
PubChem	14327177

M. W.

199.22696

CAS

13092-93-8

Similarity

N/A

ID: 56279

3-[(1-aminopropan-2-yl)oxy]pyridine

$$$$ Data More

M. F.

C8H12N2O

Suppliers	Catalog Number
ChemBridge	4004846
Matrix Scientific	061454
Apollo Scientific	OR12730

Database	Data ID
PubChem	3573610

M. W.

152.19368

CAS

886763-53-7

Similarity

N/A

ID: 56280

10-methoxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
ChemBridge	4101795
Matrix Scientific	061455

Database	Data ID
PubChem	28065231

M. W.

193.2423

CAS

938459-13-3

Similarity

N/A

ID: 56281

2-(4-chlorophenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C16H9Cl2NO

Suppliers	Catalog Number
Matrix Scientific	061456

Database	Data ID
PubChem	10566239

M. W.

302.15476

CAS

Similarity

N/A

ID: 56282

2-(3-methoxyphenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C17H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	061457

Database	Data ID
PubChem	46779215

M. W.

297.73568

CAS

Similarity

N/A

ID: 56283

3-chloro-1-benzothiophene-2-carbonyl chloride

$$$$ Data More

M. F.

C9H4Cl2OS

Suppliers	Catalog Number
Sigma Aldrich	593087
Alfa Aesar	L11745
Matrix Scientific	061458

Database	Data ID
PubChem	519898

M. W.

231.09846

CAS

21815-91-8

Similarity

N/A

ID: 56284

5-methyl-1,2-oxazole-3-carbonyl chloride

$$$$ Data More

M. F.

C5H4ClNO2

Suppliers	Catalog Number
Alfa Aesar	H50693
Matrix Scientific	061459
Maybridge	CC10402

Database	Data ID
PubChem	2736894

M. W.

145.54376

CAS

39499-34-8

Similarity

N/A

ID: 56285

2-(4-methoxyphenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C17H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	061460

Database	Data ID
PubChem	10732796

M. W.

297.73568

CAS

Similarity

N/A

ID: 56286

2-(4-bromophenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C16H9BrClNO

Suppliers	Catalog Number
Matrix Scientific	061461

Database	Data ID
PubChem	13603898

M. W.

346.60576

CAS

Similarity

N/A

ID: 56287

2-(3-bromophenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C16H9BrClNO

Suppliers	Catalog Number
Matrix Scientific	061462

Database	Data ID
PubChem	46779216

M. W.

346.60576

CAS

Similarity

N/A

ID: 56288

2-(2-chlorophenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C16H9Cl2NO

Suppliers	Catalog Number
Matrix Scientific	061463

Database	Data ID
PubChem	10542369

M. W.

302.15476

CAS

Similarity

N/A

ID: 56289

2-(2,4-dichlorophenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C16H8Cl3NO

Suppliers	Catalog Number
Matrix Scientific	061464

Database	Data ID
PubChem	46779217

M. W.

336.59982

CAS

Similarity

N/A

ID: 56290

2-(4-ethylphenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C18H14ClNO

Suppliers	Catalog Number
Matrix Scientific	061465

Database	Data ID
PubChem	46779218

M. W.

295.76286

CAS

Similarity

N/A

ID: 56291

2-(4-methylphenyl)quinoline-4-carbonyl chloride

$$$$ Data

M. F.

C17H12ClNO

Suppliers	Catalog Number
Matrix Scientific	061466

Database	Data ID
PubChem	10826710

M. W.

281.73628

CAS

Similarity

N/A

ID: 56292

2-(4-methoxyphenyl)-6-methylquinoline-4-carbonyl chloride

$$$$ Data

M. F.

C18H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	061467

Database	Data ID
PubChem	46779219

M. W.

311.76226

CAS

Similarity

N/A

ID: 56293

6-methyl-2-phenylquinoline-4-carbonyl chloride

$$$$ Data

M. F.

C17H12ClNO

Suppliers	Catalog Number
Matrix Scientific	061468

Database	Data ID
PubChem	21354695

M. W.

281.73628

CAS

Similarity

N/A

ID: 56294

1-phenyl-1H-pyrazole-4-carbonyl chloride

$$$$ Data

M. F.

C10H7ClN2O

Suppliers	Catalog Number
Matrix Scientific	061469

Database	Data ID
PubChem	13637626

M. W.

206.62838

CAS

Similarity

N/A

ID: 56295

3,5-dimethyladamantane-1-carbonyl chloride

$$$$ Data

M. F.

C13H19ClO

Suppliers	Catalog Number
Matrix Scientific	061470

Database	Data ID
PubChem	13050220

M. W.

226.74236

CAS

Similarity

N/A

ID: 56296

2-(4-ethylphenoxy)acetyl chloride

$$$$ Data

M. F.

C10H11ClO2

Suppliers	Catalog Number
Matrix Scientific	061471

Database	Data ID
PubChem	15323290

M. W.

198.64614

CAS

Similarity

N/A

ID: 56297

3-chloro-6-methoxy-1-benzothiophene-2-carbonyl chloride

$$$$ Data

M. F.

C10H6Cl2O2S

Suppliers	Catalog Number
Alfa Aesar	H50419
Matrix Scientific	061472

Database	Data ID
PubChem	12594638

M. W.

261.12444

CAS

75998-29-7

Similarity

N/A

ID: 56298

2-(naphthalen-1-yloxy)acetyl chloride

$$$$ Data

M. F.

C12H9ClO2

Suppliers	Catalog Number
Matrix Scientific	061473

Database	Data ID
PubChem	292530

M. W.

220.65166

CAS

2007-12-7

Similarity

N/A

ID: 56299

2-(4-nitrophenoxy)acetyl chloride

$$$$ Data

M. F.

C8H6ClNO4

Suppliers	Catalog Number
Matrix Scientific	061474

Database	Data ID
PubChem	88380

M. W.

215.59054

CAS

20142-88-5

Similarity

N/A

ID: 56300

2-(4-methylphenoxy)acetyl chloride

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Matrix Scientific	061475
Life Chemicals	F2190-0104

Database	Data ID
PubChem	10976181

M. W.

184.61956

CAS

15516-47-9

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified