ChemSpider 2D Image | GW1100 | C27H25FN4O4S

GW1100

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID9866850

More details:

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

306974-70-9 [RN]
4-{5-[(2-Éthoxy-5-pyrimidinyl)méthyl]-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-[(2-ethoxy-5-pyrimidinyl)methyl]-2-[[(4-fluorophenyl)methyl]thio]-4-oxo-1(4H)-pyrimidinyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-{5-[(2-ethoxy-5-pyrimidinyl)methyl]-2-[(4-fluorobenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}benzoate [ACD/IUPAC Name]
Ethyl-4-{5-[(2-ethoxy-5-pyrimidinyl)methyl]-2-[(4-fluorbenzyl)sulfanyl]-4-oxo-1(4H)-pyrimidinyl}benzoat [German] [ACD/IUPAC Name]
GW 1100
GW1100
GW-1100
[306974-70-9] [RN]
1-(4-Ethoxycarbonylphenyl)-2-(4-fluorobenzylthio)-5-(2-ethoxy-5-pyrimidinylmethyl)-4-pyrimidinone
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      GPCR/G protein MedChem Express HY-50691
      GPCR/G protein; MedChem Express HY-50691
      GPR40 MedChem Express HY-50691
      GW 1100 is a selective antagonist of GPR40-mediated Ca2+ elevations in HEK293 cells stimulated by GW 9508 (an agonist of both GPR40 and GPR120, another GPCR activated by long chain fatty acids) or lin oleic acid with a pIC50 value equal to 5.99. MedChem Express
      GW 1100 is a selective antagonist of GPR40-mediated Ca2+ elevations in HEK293 cells stimulated by GW 9508 (an agonist of both GPR40 and GPR120, another GPCR activated by long chain fatty acids) or linoleic acid with a pIC50 value equal to 5.99.; IC50 value:; Target: GPR40; GPR40 is a G protein-coupled receptor (GPCR) that is activated by saturated and unsaturated long chain fatty acids. MedChem Express HY-50691

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.2±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 141.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1405.39
ACD/KOC (pH 5.5): 6234.27
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1405.46
ACD/KOC (pH 7.4): 6234.58
Polar Surface Area: 119 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 400.7±7.0 cm3

Click to predict properties on the Chemicalize site


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