ChemSpider 2D Image | GSK1016790A | C28H32Cl2N4O6S2


  • Molecular FormulaC28H32Cl2N4O6S2
  • Average mass655.613 Da
  • Monoisotopic mass654.114014 Da
  • ChemSpider ID29310491
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

942206-85-1 [RN]
Benzo[b]thiophene-2-carboxamide, N-[(1S)-1-[[4-[(2S)-2-[[(2,4-dichlorophenyl)sulfonyl]amino]-3-hydroxy-1-oxopropyl]-1-piperazinyl]carbonyl]-3-methylbutyl]- [ACD/Index Name]
GSK 10116790A
N-[(2S)-1-(4-{N-[(2,4-Dichlorophenyl)sulfonyl]-L-seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-(4-{N-[(2,4-Dichlorophényl)sulfonyl]-L-séryl}-1-pipérazinyl)-4-méthyl-1-oxo-2-pentanyl]-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
N-[(2S)-1-(4-{N-[(2,4-Dichlorphenyl)sulfonyl]-L-seryl}-1-piperazinyl)-4-methyl-1-oxo-2-pentanyl]-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel . ChEBI CHEBI:140524

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: 1.639
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1071.09
ACD/KOC (pH 5.5): 5127.63
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 841.55
ACD/KOC (pH 7.4): 4028.78
Polar Surface Area: 173 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 61.8±3.0 dyne/cm
Molar Volume: 459.5±3.0 cm3

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