ChemSpider 2D Image | GDC 0834 | C33H36N6O3S

GDC 0834

  • Molecular FormulaC33H36N6O3S
  • Average mass596.742 Da
  • Monoisotopic mass596.256958 Da
  • ChemSpider ID28513011

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1133432-49-1 [RN]
Benzo[b]thiophene-2-carboxamide, N-[3-[6-[[4-[(2R)-1,4-dimethyl-3-oxo-2-piperazinyl]phenyl]amino]-4,5-dihydro-4-methyl-5-oxo-2-pyrazinyl]-2-methylphenyl]-4,5,6,7-tetrahydro- [ACD/Index Name]
FM7JG3L4SR
GDC 0834
GDC-0834
N-{3-[6-({4-[(2R)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-{3-[6-({4-[(2R)-1,4-Dimethyl-3-oxo-2-piperazinyl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-methylphenyl}-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-{3-[6-({4-[(2R)-1,4-Diméthyl-3-oxo-2-pipérazinyl]phényl}amino)-4-méthyl-5-oxo-4,5-dihydro-2-pyrazinyl]-2-méthylphényl}-4,5,6,7-tétrahydro-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
(R)-N-(3-(6-((4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl)amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide
1133432-46-8 [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Btk MedChem Express HY-15427
      GDC-0834 is a potent and selective BTK inhibitor with in vitro IC50s of 5.9 and 6.4 nM in biochemical and cellular assays, respectively.; IC50 value: 5.9 nM/6.4 nM(biochemical/cellular assay) [1]; Target: BTK; in vitro: GDC-0834 inhibited BTK with an in vitro IC(50) of 5.9 and 6.4 nM in biochemical and cellular assays, respectively, and in vivo IC(50) of 1.1 and 5.6 ?M in mouse and rat, respectively [1].; in vivo: Administration of GDC-0834 (30-100 mg/kg) in a rat collagen-induced arthritis (CIA) model resulted in a dose-dependent decrease of ankle swelling and reduction of morphologic pathology [1]. MedChem Express HY-15427
      Protein Tyrosine Kinase/RTK MedChem Express HY-15427
      Protein Tyrosine Kinase/RTK; MedChem Express HY-15427

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: 1.697
Molar Refractivity: 170.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 53.75
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 166.59
ACD/KOC (pH 7.4): 1230.94
Polar Surface Area: 126 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

Click to predict properties on the Chemicalize site


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