ChemSpider 2D Image | KPT-9274 | C35H29F3N4O3


  • Molecular FormulaC35H29F3N4O3
  • Average mass610.625 Da
  • Monoisotopic mass610.219177 Da
  • ChemSpider ID38772371
  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(6-Amino-3-pyridinyl)-N-{[5-{4-[(4,4-difluor-1-piperidinyl)carbonyl]phenyl}-7-(4-fluorphenyl)-1-benzofuran-2-yl]methyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-3-(6-Amino-3-pyridinyl)-N-{[5-{4-[(4,4-difluoro-1-piperidinyl)carbonyl]phenyl}-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl}acrylamide [ACD/IUPAC Name]
(2E)-3-(6-Amino-3-pyridinyl)-N-{[5-{4-[(4,4-difluoro-1-pipéridinyl)carbonyl]phényl}-7-(4-fluorophényl)-1-benzofuran-2-yl]méthyl}acrylamide [French] [ACD/IUPAC Name]
1643913-93-2 [RN]
2-Propenamide, 3-(6-amino-3-pyridinyl)-N-[[5-[4-[(4,4-difluoro-1-piperidinyl)carbonyl]phenyl]-7-(4-fluorophenyl)-2-benzofuranyl]methyl]-, (2E)- [ACD/Index Name]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-12793
      Cell Cycle/DNA Damage; MedChem Express HY-12793
      p21-activated Kinases (PAKs) MedChem Express HY-12793
      PAK4-IN-1 is an inhibitor of p21-activated kinases (PAKs), with IC50 of ?100 nM in MTT assay.; IC50 value: ?100 nM (in MTT assay); Target: PAKs; The detailed information please refer to WO2015003166A1. MedChem Express HY-12793

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

Density: 1.4±0.1 g/cm3
Boiling Point: 857.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 472.4±34.3 °C
Index of Refraction: 1.677
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1181.60
ACD/KOC (pH 5.5): 4171.75
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3073.53
ACD/KOC (pH 7.4): 10851.41
Polar Surface Area: 101 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 436.9±5.0 cm3

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