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ABT 737

Molecular FormulaC₄₂H₄₅ClN₆O₅S₂
Average mass813.427 Da
Monoisotopic mass812.258118 Da
ChemSpider ID9403232

- 1 of 1 defined stereocentres

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[4-({4'-chloro-[1,1'-biphenyl]-2-yl}methyl)piperazin-1-yl]-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide

4-[4-[(4'-Chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]benzamide

4-{4-[(4'-Chlor-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]

4-{4-[(4'-Chloro-2-biphenylyl)methyl]-1-piperazinyl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)-2-butanyl]amino}-3-nitrophenyl)sulfonyl]benzamide [ACD/IUPAC Name]

4-{4-[(4'-Chloro-2-biphénylyl)méthyl]-1-pipérazinyl}-N-[(4-{[(2R)-4-(diméthylamino)-1-(phénylsulfanyl)-2-butanyl]amino}-3-nitrophényl)sulfonyl]benzamide [French] [ACD/IUPAC Name]

852808-04-9 [RN]

ABT 737

ABT-737

Benzamide, 4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]- [ACD/Index Name]

Z5NFR173NV

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(R)-4-(4-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-(dimethylamino)-1-(phenylthio)butan-2-yl)amino)-3-nitrophenyl)sulfonyl)benzamide

(R)-4-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)-N-(4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrophenylsulfonyl)benzamide

[852808-04-9] [RN]

1217686-68-4 [RN]

4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1-yl)-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzenesulfonyl)benzamide

4-[4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl]-benzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[4-[[(1R)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonylbenzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]-1-piperazinyl]-N-[4-[[(2R)-4-(dimethylamino)-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(1R)-3-dimethylamino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

4-[4-[2-(4-chlorophenyl)benzyl]piperazin-1-yl]-N-[4-[[(1R)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide

4-{4-[(4'-chloro[1,1'-biphenyl]-2-yl)methyl]piperazin-1-yl}-N-(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene-1-sulfonyl)benzamide

4-{4-[(4'-chloro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide

4-{4-[(4'-chlorobiphenyl-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]benzamide

57898-80-3 [RN]

ABT 737|ABT737|compound 2 [PMID 17256834]

ABT 737-D8

ABT737

abt-737(wx900016)

ABT737;ABT 737

Bcl-2 Inhibitor VI, ABT-737

CID 46779841

compound 2 [PMID 17256834]

https://www.ebi.ac.uk/chembl/compound_reportcard/CHEMBL376408/

MFCD12756212 [MDL number]

N3C

NOCAS_42641

UNII:Z5NFR173NV

UNII-Z5NFR173NV

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.698
Molar Refractivity:	225.8±0.4 cm³
#H bond acceptors:	11
#H bond donors:	2
#Freely Rotating Bonds:	16
#Rule of 5 Violations:	3

ACD/LogP:	9.21
ACD/LogD (pH 5.5):	4.99
ACD/BCF (pH 5.5):	717.90
ACD/KOC (pH 5.5):	556.37
ACD/LogD (pH 7.4):	5.45
ACD/BCF (pH 7.4):	2067.65
ACD/KOC (pH 7.4):	1602.42
Polar Surface Area:	164 Å²
Polarizability:	89.5±0.5 10^-24cm³
Surface Tension:	72.7±5.0 dyne/cm
Molar Volume:	585.5±5.0 cm³

Click to predict properties on the Chemicalize site

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ABT 737

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