ChemSpider 2D Image | GW6471 | C35H36F3N3O4

GW6471

  • Molecular FormulaC35H36F3N3O4
  • Average mass619.673 Da
  • Monoisotopic mass619.265808 Da
  • ChemSpider ID394020
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

880635-03-0 [RN]
GW6471
MFCD07784503
N-((2S)-2-(((1Z)-1-Methyl-3-oxo-3-(4-(trifluoromethyl)phenyl)prop-1-enyl)amino)-3-(4-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy)phenyl)propyl)propanamide
N-[(2S)-3-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-({(2Z)-4-oxo-4-[4-(trifluormethyl)phenyl]-2-buten-2-yl}amino)propyl]propanamid [German] [ACD/IUPAC Name]
N-[(2S)-3-{4-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}-2-({(2Z)-4-oxo-4-[4-(trifluoromethyl)phenyl]-2-buten-2-yl}amino)propyl]propanamide [ACD/IUPAC Name]
N-[(2S)-3-{4-[2-(5-Méthyl-2-phényl-1,3-oxazol-4-yl)éthoxy]phényl}-2-({(2Z)-4-oxo-4-[4-(trifluorométhyl)phényl]-2-butén-2-yl}amino)propyl]propanamide [French] [ACD/IUPAC Name]
Propanamide, N-[(2S)-2-[[(1Z)-1-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]-1-propen-1-yl]amino]-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propyl]- [ACD/Index Name]
[880635-03-0]
471
More...

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

CCRIS 4693 [DBID]
G5045_SIGMA [DBID]
GW 6471 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      Sold with the permission of GlaxoSmithKline. Tocris Bioscience 4618
    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 4618
      PPAR Receptors Tocris Bioscience 4618
      PPAR? antagonist Tocris Bioscience 4618
      PPAR? antagonist (IC50 = 0.24 ?M). Enhances the binding affinity of the PPAR? ligand-binding domain to the co-repressor proteins SMRT and NCoR. Tocris Bioscience 4618
      PPARalpha antagonist Tocris Bioscience 4618
      PPARalpha antagonist (IC50 = 0.24 muM). Enhances the binding affinity of the PPARalpha ligand-binding domain to the co-repressor proteins SMRT and NCoR. Tocris Bioscience 4618
      PPARalpha Receptors Tocris Bioscience 4618
      PPARs Tocris Bioscience 4618

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.24
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21222.10
ACD/KOC (pH 5.5): 43288.60
ACD/LogD (pH 7.4): 6.01
ACD/BCF (pH 7.4): 21620.99
ACD/KOC (pH 7.4): 44102.24
Polar Surface Area: 93 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 514.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement