Chembase list of 866358 unique molecular structures

methyl 4-bromo-1,3-benzoxazole-2-carboxylate

$$$$ Data

M. F.

C9H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD212262

Database	Data ID
PubChem	53407903

M. W.

256.05284

CAS

954239-74-8

Similarity

N/A

ID: 288802

7-bromo-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C9H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD212264
A&J Pharmtech	AJA-O13916

Database	Data ID
PubChem	14221025

M. W.

224.05404

CAS

99465-10-8

Similarity

N/A

ID: 288803

4-bromo-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C8H4BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD212279

Database	Data ID
PubChem	22607307

M. W.

226.02686

CAS

70478-63-6

Similarity

N/A

ID: 288804

2-bromo-4-methylpentanoic acid

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD212305
A&J Pharmtech	AJA-O155 AJA-O3148

Database	Data ID
PubChem	142681

M. W.

195.05434

CAS

42990-24-9

Similarity

N/A

ID: 288805

methyl 3-methyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD212319

Database	Data ID
PubChem	24271768

M. W.

139.15186

CAS

40611-69-6

Similarity

N/A

ID: 288806

3-nitro-1H-pyrazolo[3,4-b]pyridine

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
Bide Pharmatech	BD212342

Database	Data ID
PubChem	14140170

M. W.

164.12156

CAS

116855-00-6

Similarity

N/A

ID: 288807

N-benzyl-2-(methylsulfanyl)pyrimidin-4-amine

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Bide Pharmatech	BD212343

Database	Data ID
PubChem	13680199

M. W.

231.31672

CAS

91719-61-8

Similarity

N/A

ID: 288808

3-bromo-2-chloro-6-methyl-5-nitropyridine

$$$$ Data

M. F.

C6H4BrClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD212346

Database	Data ID
PubChem	29919369

M. W.

251.46516

CAS

856834-95-2

Similarity

N/A

ID: 288809

tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate

$$$$ Data

M. F.

C10H19FN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD212420
A&J Pharmtech	AJA-O19493

Database	Data ID
PubChem	21948952

M. W.

218.2684632

CAS

934536-10-4

Similarity

N/A

ID: 288810

1,2-benzoxazol-5-amine

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD212422

Database	Data ID
PubChem	18373421

M. W.

134.13534

CAS

239097-74-6

Similarity

N/A

ID: 288811

2-methyl-1,3-benzothiazole-5-carbaldehyde

$$$$ Data

M. F.

C9H7NOS

Suppliers	Catalog Number
Bide Pharmatech	BD212426

Database	Data ID
PubChem	2308820

M. W.

177.22298

CAS

20061-46-5

Similarity

N/A

ID: 288812

2-bromo-1,3-thiazol-4-amine hydrobromide

$$$$ Data

M. F.

C3H4Br2N2S

Suppliers	Catalog Number
Bide Pharmatech	BD212438
A&J Pharmtech	AJA-O14539

Database	Data ID
PubChem	20294041

M. W.

259.95026

CAS

41731-35-5

Similarity

N/A

ID: 288813

3,6-dibromothieno[3,2-b]thiophene

$$$$ Data

M. F.

C6H2Br2S2

Suppliers	Catalog Number
Bide Pharmatech	BD212453

Database	Data ID
PubChem	10613979

M. W.

298.01808

CAS

392662-65-6

Similarity

N/A

ID: 288814

2-(4-phenylbenzoyl)benzoic acid

$$$$ Data

M. F.

C20H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD212461

Database	Data ID
PubChem	39302

M. W.

302.32336

CAS

42797-18-2

Similarity

N/A

ID: 288815

octahydropyrrolo[3,4-c]pyrrole

$$$$ Data

M. F.

C6H12N2

Suppliers	Catalog Number
Bide Pharmatech	BD212474

Database	Data ID
PubChem	21867666

M. W.

112.17288

CAS

5840-00-6

Similarity

N/A

ID: 288816

2-(3-bromophenyl)propanoic acid

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD21249

Database	Data ID
PubChem	12797954

M. W.

229.07056

CAS

53086-52-5

Similarity

N/A

ID: 288817

7-bromo-4-methylquinoline

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Bide Pharmatech	BD212496

Database	Data ID
PubChem	21992551

M. W.

222.08122

CAS

141052-31-5

Similarity

N/A

ID: 288818

4-(trifluoromethyl)-2,3-dihydro-1H-indole

$$$$ Data

M. F.

C9H8F3N

Suppliers	Catalog Number
Bide Pharmatech	BD212535
A&J Pharmtech	AJA-O6770

Database	Data ID
PubChem	16244445

M. W.

187.1617296

CAS

905274-07-9

Similarity

N/A

ID: 288819

4-nitro-2,3-dihydro-1H-inden-2-one

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Bide Pharmatech	BD212540

Database	Data ID
PubChem	51051645

M. W.

177.15678

CAS

913297-09-3

Similarity

N/A

ID: 288820

2-hydroxy-6-methoxy-1,4-dihydronaphthalene-1,4-dione

$$$$ Data

M. F.

C11H8O4

Suppliers	Catalog Number
Bide Pharmatech	BD212541

Database	Data ID
PubChem	11084932

M. W.

204.17882

CAS

6223-31-0

Similarity

N/A

ID: 288821

methyl 3-(hydroxymethyl)-5-methoxybenzoate

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Bide Pharmatech	BD212551

Database	Data ID
PubChem	15472358

M. W.

196.19988

CAS

367519-84-4

Similarity

N/A

ID: 288822

4-(bromomethyl)-2,2-dimethyl-1,3-dioxolane

$$$$ Data

M. F.

C6H11BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD212566

Database	Data ID
PubChem	169759

M. W.

195.05434

CAS

36236-76-7

Similarity

N/A

ID: 288823

methyl 1,3-thiazole-2-carboxylate

$$$$ Data

M. F.

C5H5NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD212571
A&J Pharmtech	AJA-O8418 AJA-O7543

Database	Data ID
PubChem	7567660

M. W.

143.1637

CAS

55842-56-3

Similarity

N/A

ID: 288824

methyl 6-carbamoylpyridine-2-carboxylate

$$$$ Data

M. F.

C8H8N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD212585

Database	Data ID
PubChem	46856271

M. W.

180.16072

CAS

108129-47-1

Similarity

N/A

ID: 288825

1-(benzenesulfonyl)-2,5-dihydro-1H-pyrrole

$$$$ Data

M. F.

C10H11NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD212604

Database	Data ID
PubChem	279716

M. W.

209.26484

CAS

16851-71-1

Similarity

N/A

ID: 288826

(2Z)-2-tert-butylbut-2-enedinitrile

$$$$ Data

M. F.

C8H10N2

Suppliers	Catalog Number
Bide Pharmatech	BD212605

Database	Data ID
PubChem	14810343

M. W.

134.1784

CAS

169309-80-2

Similarity

N/A

ID: 288827

2-(4-fluorophenyl)thiophene

$$$$ Data

M. F.

C10H7FS

Suppliers	Catalog Number
Bide Pharmatech	BD212625
A&J Pharmtech	AJA-O8523 AJA-O7649

Database	Data ID
PubChem	21894783

M. W.

178.2259832

CAS

58861-48-6

Similarity

N/A

ID: 288828

tert-butyl 4-cyano-4-hydroxypiperidine-1-carboxylate

$$$$ Data

M. F.

C11H18N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD212638

Database	Data ID
PubChem	53399262

M. W.

226.27222

CAS

908140-15-8

Similarity

N/A

ID: 288829

1-[(4-fluorophenyl)methyl]-2,5-dihydro-1H-pyrrole

$$$$ Data

M. F.

C11H12FN

Suppliers	Catalog Number
Bide Pharmatech	BD212640

Database	Data ID
PubChem	57345860

M. W.

177.2180832

CAS

954416-86-5

Similarity

N/A

ID: 288830

furo[3,2-d]pyrimidine-2,4-diol

$$$$ Data

M. F.

C6H4N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD212642

Database	Data ID
PubChem	11564502

M. W.

152.10756

CAS

956034-06-3

Similarity

N/A

ID: 288831

ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate

$$$$ Data

M. F.

C7H7Cl2N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD212661

Database	Data ID
PubChem	70700302

M. W.

236.05538

CAS

54368-62-6

Similarity

N/A

ID: 288832

5-chlorothiophene-3-carbaldehyde

$$$$ Data

M. F.

C5H3ClOS

Suppliers	Catalog Number
Bide Pharmatech	BD212663

Database	Data ID
PubChem	12284899

M. W.

146.59472

CAS

36155-85-8

Similarity

N/A

ID: 288833

(3R)-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C10H17NO4

Suppliers	Catalog Number
Alfa Aesar	H57825
Bide Pharmatech	BD212687

Database	Data ID
PubChem	1512491

M. W.

215.24628

CAS

72925-16-7

Similarity

N/A

ID: 288834

3-aminothiophene-2-carbaldehyde

$$$$ Data

M. F.

C5H5NOS

Suppliers	Catalog Number
Bide Pharmatech	BD212691

Database	Data ID
PubChem	818867

M. W.

127.1643

CAS

56489-01-1

Similarity

N/A

ID: 288835

[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C7H5N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD212708

Database	Data ID
PubChem	23438842

M. W.

163.1335

CAS

1043903-19-0

Similarity

N/A

ID: 288836

{3-[(dimethylamino)methyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H14BNO2

Suppliers	Catalog Number
Bide Pharmatech	BD212712

Database	Data ID
PubChem	20672259

M. W.

179.02396

CAS

819849-22-4

Similarity

N/A

ID: 288837

hydrogen 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-2,3-dihyd...

$$$$ Data

M. F.

C21H21Cl2N4OS-

Suppliers	Catalog Number
Bide Pharmatech	BD212731

Database	Data ID
PubChem	67108352

M. W.

448.38864

CAS

122883-93-6

Similarity

N/A

ID: 288838

4-[(4-ethylpiperazin-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C14H20N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD213062

Database	Data ID
PubChem	7152675

M. W.

248.3208

CAS

895519-97-8

Similarity

N/A

ID: 288839

hydrogen [(1R)-1-(naphthalen-1-yl)ethyl]({3-[3-(trifluoromethyl)phenyl]propyl})a...

$$$$ Data

M. F.

C22H22ClF3N-

Suppliers	Catalog Number
Bide Pharmatech	BD213065

Database	Data ID
PubChem	57504192

M. W.

392.8649896

CAS

364782-34-3

Similarity

N/A

ID: 288840

2-chloro-5-methoxypyrazine

$$$$ Data

M. F.

C5H5ClN2O

Suppliers	Catalog Number
Bide Pharmatech	BD213076
A&J Pharmtech	AJA-O22044

Database	Data ID
PubChem	10986366

M. W.

144.559

CAS

33332-31-9

Similarity

N/A

ID: 288841

4-fluoro-3-hydroxybenzaldehyde

$$$$ Data

M. F.

C7H5FO2

Suppliers	Catalog Number
Bide Pharmatech	BD213078

Database	Data ID
PubChem	587792

M. W.

140.1118032

CAS

103438-85-3

Similarity

N/A

ID: 288842

(2S,3S)-2-{[(benzyloxy)carbonyl](methyl)amino}-3-methylpentanoic acid

$$$$ Data

M. F.

C15H21NO4

Suppliers	Catalog Number
Bide Pharmatech	BD212748

Database	Data ID
PubChem	7019518

M. W.

279.33154

CAS

42417-66-3

Similarity

N/A

ID: 288843

(3R)-3-methylmorpholine hydrochloride

$$$$ Data

M. F.

C5H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD212753

Database	Data ID
PubChem	57356922

M. W.

137.60788

CAS

953780-78-4

Similarity

N/A

ID: 288844

(3S)-3-methylmorpholine hydrochloride

$$$$ Data

M. F.

C5H12ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD212759

Database	Data ID
PubChem	53486469

M. W.

137.60788

CAS

1022094-03-6

Similarity

N/A

ID: 288845

[2-methoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

$$$$ Data

M. F.

C14H21BO4

Suppliers	Catalog Number
Bide Pharmatech	BD212796
A&J Pharmtech	AJA-O3765

Database	Data ID
PubChem	56845242

M. W.

264.12514

CAS

1009303-77-8

Similarity

N/A

ID: 288846

furo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C6H5N3O

Suppliers	Catalog Number
Bide Pharmatech	BD212798

Database	Data ID
PubChem	9898839

M. W.

135.1234

CAS

186454-70-6

Similarity

N/A

ID: 288847

3-(1-ethoxyethenyl)-4-methylpyridine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD212799

Database	Data ID
PubChem	22731018

M. W.

163.21632

CAS

55314-29-9

Similarity

N/A

ID: 288848

tert-butyl N-(1-oxopropan-2-yl)carbamate

$$$$ Data

M. F.

C8H15NO3

Suppliers	Catalog Number
Bide Pharmatech	BD212832

Database	Data ID
PubChem	545705

M. W.

173.2096

CAS

114857-00-0

Similarity

N/A

ID: 288849

4-methylpiperidine-4-carboxylic acid

$$$$ Data

M. F.

C7H13NO2

Suppliers	Catalog Number
ChemBridge	4041448
Bide Pharmatech	BD212839

Database	Data ID
PubChem	22104579

M. W.

143.18362

CAS

162648-32-0

Similarity

N/A

ID: 288850

4-bromo-3-methoxybenzaldehyde

$$$$ Data

M. F.

C8H7BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD212855

Database	Data ID
PubChem	12187207

M. W.

215.04398

CAS

43192-34-3

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