Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C11H12FNO2

Suppliers	Catalog Number
Matrix Scientific	016622

Database	Data ID
PubChem	26188751

M. W.

209.2168832

CAS

736991-35-8

Similarity

N/A

ID: 16002

5-fluoro-2-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12FNO2

Suppliers	Catalog Number
Matrix Scientific	016623
Enamine	EN300-60669

Database	Data ID
PubChem	26188754

M. W.

209.2168832

CAS

Similarity

N/A

ID: 16003

2-bromo-4-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Matrix Scientific	016625

Database	Data ID
PubChem	7148649

M. W.

270.12248

CAS

883522-52-9

Similarity

N/A

ID: 16004

4-bromo-2-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Matrix Scientific	016626
Bide Pharmatech	BD13055
A&J Pharmtech	AJA-O6235

Database	Data ID
PubChem	28305837

M. W.

270.12248

CAS

736990-80-0

Similarity

N/A

ID: 16005

5-bromo-2-(morpholin-4-yl)benzaldehyde

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Matrix Scientific	016627

Database	Data ID
PubChem	23091144

M. W.

270.12248

CAS

742099-65-6

Similarity

N/A

ID: 16006

4-(4-benzylpiperazin-1-yl)-3-fluorobenzaldehyde

$$$$ Data

M. F.

C18H19FN2O

Suppliers	Catalog Number
Matrix Scientific	016628

Database	Data ID
PubChem	26188760

M. W.

298.3546632

CAS

Similarity

N/A

ID: 16007

2-(4-benzylpiperazin-1-yl)-5-bromobenzaldehyde

$$$$ Data

M. F.

C18H19BrN2O

Suppliers	Catalog Number
Matrix Scientific	016630

Database	Data ID
PubChem	26188764

M. W.

359.26026

CAS

Similarity

N/A

ID: 16008

4-(4-benzylpiperazin-1-yl)-3-bromobenzaldehyde

$$$$ Data

M. F.

C18H19BrN2O

Suppliers	Catalog Number
Matrix Scientific	016631

Database	Data ID
PubChem	26188766

M. W.

359.26026

CAS

443777-04-6

Similarity

N/A

ID: 16009

1,2,3,4-tetramethoxybenzene

$$$$ Data

M. F.

C10H14O4

Suppliers	Catalog Number
Matrix Scientific	016632

Database	Data ID
PubChem	607773

M. W.

198.21576

CAS

21450-56-6

Similarity

N/A

ID: 16010

2-bromo-3-nitronaphthalene

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Matrix Scientific	016633

Database	Data ID
PubChem	11958923

M. W.

252.06414

CAS

67116-33-0

Similarity

N/A

ID: 16011

2-chloro-1-(2,3,4,5-tetramethylphenyl)ethan-1-one

$$$$ Data

M. F.

C12H15ClO

Suppliers	Catalog Number
Matrix Scientific	016634
Enamine	EN300-11364

Database	Data ID
PubChem	2561828

M. W.

210.6999

CAS

153275-53-7

Similarity

N/A

ID: 16012

2,3-dihydro-1,4-benzodioxin-6-ol

$$$$ Data More

M. F.

C8H8O3

Suppliers	Catalog Number
ChemBridge	4003146
Matrix Scientific	016635
TRC	H808475

Database	Data ID
PubChem	9115273

M. W.

152.14732

CAS

10288-72-9

Similarity

N/A

ID: 16013

2,3-dihydro-1,4-benzodioxine-6,7-diol

$$$$ Data

M. F.

C8H8O4

Suppliers	Catalog Number
Matrix Scientific	016636

Database	Data ID
PubChem	13805584

M. W.

168.14672

CAS

90111-35-6

Similarity

N/A

ID: 16014

2-bromo-4,5-difluoroaniline

$$$$ Data More

M. F.

C6H4BrF2N

Suppliers	Catalog Number
Matrix Scientific	016637
Chemik	CHB80571
Enamine	EN300-113031

Database	Data ID
PubChem	11206558

M. W.

208.0034664

CAS

64695-79-0

Similarity

N/A

ID: 16015

5-bromo-6-nitro-2H-1,3-benzodioxole

$$$$ Data

M. F.

C7H4BrNO4

Suppliers	Catalog Number
Matrix Scientific	016638

Database	Data ID
PubChem	1519756

M. W.

246.01496

CAS

7748-58-5

Similarity

N/A

ID: 16016

2-(3-bromophenyl)butanedioic acid

$$$$ Data

M. F.

C10H9BrO4

Suppliers	Catalog Number
Matrix Scientific	016639
A&J Pharmtech	AJA-O10265

Database	Data ID
PubChem	12436933

M. W.

273.08006

CAS

69006-89-9

Similarity

N/A

ID: 16017

2-(4-bromophenyl)butanedioic acid

$$$$ Data

M. F.

C10H9BrO4

Suppliers	Catalog Number
Matrix Scientific	016640
A&J Pharmtech	AJA-O31458

Database	Data ID
PubChem	13207314

M. W.

273.08006

CAS

71471-40-4

Similarity

N/A

ID: 16018

5,7,9-trithiatricyclo[6.3.0.0^{2,6}]undeca-1(8),2(6),3,10-tetraene

$$$$ Data

M. F.

C8H4S3

Suppliers	Catalog Number
Matrix Scientific	016641

Database	Data ID
PubChem	136049

M. W.

196.31236

CAS

236-63-5

Similarity

N/A

ID: 16019

3,7,9-trithiatricyclo[6.3.0.0^{2,6}]undeca-1(8),2(6),4,10-tetraene

$$$$ Data

M. F.

C8H4S3

Suppliers	Catalog Number
Matrix Scientific	016642

Database	Data ID
PubChem	13708387

M. W.

196.31236

CAS

3593-75-7

Similarity

N/A

ID: 16020

2-iodo-3-nitronaphthalene

$$$$ Data

M. F.

C10H6INO2

Suppliers	Catalog Number
Matrix Scientific	016644

Database	Data ID
PubChem	26188783

M. W.

299.06461

CAS

102153-71-9

Similarity

N/A

ID: 16021

2-iodonaphthalene

$$$$ Data

M. F.

C10H7I

Suppliers	Catalog Number
Sigma Aldrich	690074
Matrix Scientific	016645

Database	Data ID
PubChem	136412

M. W.

254.06705

CAS

612-55-5

Similarity

N/A

ID: 16022

4-(naphthalen-2-yl)-2H-1,3-dithiole-2-thione

$$$$ Data

M. F.

C13H8S3

Suppliers	Catalog Number
Matrix Scientific	016646

Database	Data ID
PubChem	26188784

M. W.

260.39762

CAS

127198-67-8

Similarity

N/A

ID: 16023

4-(3,4-dihydroxyphenyl)-2H-1,3-dithiole-2-thione

$$$$ Data

M. F.

C9H6O2S3

Suppliers	Catalog Number
Matrix Scientific	016647

Database	Data ID
PubChem	15647486

M. W.

242.33774

CAS

153275-67-3

Similarity

N/A

ID: 16024

4-(acetyloxy)-2-[2,5-bis(acetyloxy)-4-methoxyphenyl]-5-methoxyphenyl acetate

$$$$ Data

M. F.

C22H22O10

Suppliers	Catalog Number
Matrix Scientific	016648

Database	Data ID
PubChem	345839

M. W.

446.40408

CAS

7461-72-5

Similarity

N/A

ID: 16025

6,7-dibromo-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C8H6Br2O2

Suppliers	Catalog Number
Matrix Scientific	016649

Database	Data ID
PubChem	2754502

M. W.

293.94004

CAS

25812-80-0

Similarity

N/A

ID: 16026

[4,5-dichloro-2-(hydroxymethyl)phenyl]methanol

$$$$ Data

M. F.

C8H8Cl2O2

Suppliers	Catalog Number
Matrix Scientific	016650

Database	Data ID
PubChem	13096434

M. W.

207.05392

CAS

24006-92-6

Similarity

N/A

ID: 16027

5,6-dichloro-2H-1,3-benzodioxole

$$$$ Data

M. F.

C7H4Cl2O2

Suppliers	Catalog Number
Matrix Scientific	016651
Enamine	EN300-128306

Database	Data ID
PubChem	95061

M. W.

191.01146

CAS

6120-31-6

Similarity

N/A

ID: 16028

1,2-dichloro-4,5-dimethoxybenzene

$$$$ Data

M. F.

C8H8Cl2O2

Suppliers	Catalog Number
Matrix Scientific	016652

Database	Data ID
PubChem	17713

M. W.

207.05392

CAS

2772-46-5

Similarity

N/A

ID: 16029

5,6-diiodo-2H-1,3-benzodioxole

$$$$ Data

M. F.

C7H4I2O2

Suppliers	Catalog Number
Matrix Scientific	016653

Database	Data ID
PubChem	15185629

M. W.

373.9144

CAS

5876-52-8

Similarity

N/A

ID: 16030

6,7-diiodo-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C8H6I2O2

Suppliers	Catalog Number
Matrix Scientific	016654

Database	Data ID
PubChem	14918279

M. W.

387.94098

CAS

155303-91-6

Similarity

N/A

ID: 16031

4,5-dimethoxybenzene-1,2-diol

$$$$ Data

M. F.

C8H10O4

Suppliers	Catalog Number
Matrix Scientific	016655

Database	Data ID
PubChem	13805565

M. W.

170.1626

CAS

1664-27-3

Similarity

N/A

ID: 16032

1,2-diiodo-4,5-dimethoxybenzene

$$$$ Data

M. F.

C8H8I2O2

Suppliers	Catalog Number
Matrix Scientific	016656

Database	Data ID
PubChem	4093342

M. W.

389.95686

CAS

110190-08-4

Similarity

N/A

ID: 16033

5,6-dibromo-2H-1,3-benzodioxole

$$$$ Data

M. F.

C7H4Br2O2

Suppliers	Catalog Number
Alfa Aesar	L13109
Matrix Scientific	016657

Database	Data ID
PubChem	225814

M. W.

279.91346

CAS

5279-32-3

Similarity

N/A

ID: 16034

2H-1,3-benzodioxole-5,6-diol

$$$$ Data

M. F.

C7H6O4

Suppliers	Catalog Number
Matrix Scientific	016658

Database	Data ID
PubChem	10964720

M. W.

154.12014

CAS

21505-20-4

Similarity

N/A

ID: 16035

5,6-dimethoxy-2H-1,3-benzodioxole

$$$$ Data

M. F.

C9H10O4

Suppliers	Catalog Number
Matrix Scientific	016659

Database	Data ID
PubChem	13675422

M. W.

182.1733

CAS

3214-12-8

Similarity

N/A

ID: 16036

7-bromo-4,5-difluoro-1H-indole

$$$$ Data

M. F.

C8H4BrF2N

Suppliers	Catalog Number
Matrix Scientific	016660

Database	Data ID
PubChem	22308781

M. W.

232.0248664

CAS

Similarity

N/A

ID: 16037

6-[(E)-2-nitroethenyl]-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C10H9NO4

Suppliers	Catalog Number
Matrix Scientific	016661

Database	Data ID
PubChem	17382528

M. W.

207.18276

CAS

10554-65-1

Similarity

N/A

ID: 16038

6,7-dimethoxy-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Matrix Scientific	016662

Database	Data ID
PubChem	13805566

M. W.

196.19988

CAS

3214-13-9

Similarity

N/A

ID: 16039

6-bromo-7-nitro-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C8H6BrNO4

Suppliers	Catalog Number
Matrix Scientific	016663
Enamine	EN300-09062

Database	Data ID
PubChem	621239

M. W.

260.04154

CAS

59820-92-7

Similarity

N/A

ID: 16040

2-acetamido-4,5-dihydro-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C6H8N2O3S

Suppliers	Catalog Number
Matrix Scientific	016664

Database	Data ID
PubChem	3100745

M. W.

188.20432

CAS

Similarity

N/A

ID: 16041

4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-yliden...

$$$$ Data

M. F.

C18H10F3NO3S2

Suppliers	Catalog Number
Sigma Aldrich	C2992
Matrix Scientific	016665

Database	Data ID
PubChem	1554208

M. W.

409.4021096

CAS

307510-92-5

Similarity

N/A

ID: 16042

2-{[(3-chloro-1H-indol-2-yl)methyl]amino}ethan-1-ol

$$$$ Data

M. F.

C11H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	016666

Database	Data ID
PubChem	3124377

M. W.

224.68672

CAS

Similarity

N/A

ID: 16043

N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]pyrimidin-2-amine hydr...

$$$$ Data

M. F.

C11H11BrN6S2

Suppliers	Catalog Number
Matrix Scientific	016667

Database	Data ID
PubChem	2877713

M. W.

371.27924

CAS

Similarity

N/A

ID: 16044

4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-methylaniline

$$$$ Data

M. F.

C13H16N2

Suppliers	Catalog Number
Matrix Scientific	016668

Database	Data ID
PubChem	3129732

M. W.

200.27954

CAS

Similarity

N/A

ID: 16045

5-(aminomethyl)furan-2-carboxylic acid

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
ChemBridge	4141271
Matrix Scientific	016669

Database	Data ID
PubChem	3129797

M. W.

141.12468

CAS

934-65-6

Similarity

N/A

ID: 16046

7-acetyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
Matrix Scientific	016670

Database	Data ID
PubChem	328529

M. W.

231.20416

CAS

Similarity

N/A

ID: 16047

5,8-dimethoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C12H11NO5

Suppliers	Catalog Number
Matrix Scientific	016671

Database	Data ID
PubChem	268979

M. W.

249.21944

CAS

Similarity

N/A

ID: 16048

1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
ChemBridge	4401867
Matrix Scientific	016672
InterBioScreen	BB_NC-2528 STOCK1N-26500

Database	Data ID
PubChem	720017

M. W.

203.19406

CAS

18471-99-3

Similarity

N/A

ID: 16049

3-aminophenazin-2-ol

$$$$ Data

M. F.

C12H9N3O

Suppliers	Catalog Number
Matrix Scientific	016673

Database	Data ID
PubChem	72902

M. W.

211.21936

CAS

4569-77-1

Similarity

N/A

ID: 16050

1-(4-benzylpiperazin-1-yl)-2-chloroethan-1-one hydrochloride

$$$$ Data

M. F.

C13H18Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	016674

Database	Data ID
PubChem	16806065

M. W.

289.20082

CAS

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