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)-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]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]
(S,Z)-N-(3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-((4-oxo-4-(4-(trifluoromethyl)phenyl)but-2-en-2-yl)amino)propyl)propionamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GW 6471 [DBID]
471 [DBID]
CCRIS 4693 [DBID]
G5045_SIGMA [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble to 75 mM in DMSO Tocris Bioscience 4618
      Soluble to 75 mM in DMSO and to 10 mM in ethanol Tocris Bioscience 4618
      Soluble to 75 mM in DMSO and to 20 mM in ethanol Tocris Bioscience 4618
  • 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, version: 14.00

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






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