ChemSpider 2D Image | TCS 2002 | C18H14N2O3S

TCS 2002

  • Molecular FormulaC18H14N2O3S
  • Average mass338.380 Da
  • Monoisotopic mass338.072510 Da
  • ChemSpider ID25069978

More details:

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

1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]- [ACD/Index Name]
1005201-24-0 [RN]
1005203-15-5 [RN]
2-[3-(4-methanesulfinylphenyl)-1-benzofuran-5-yl]-5-methyl-1,3,4-oxadiazole
2-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazol [German] [ACD/IUPAC Name]
2-Methyl-5-{3-[4-(methylsulfinyl)phenyl]-1-benzofuran-5-yl}-1,3,4-oxadiazole [ACD/IUPAC Name]
2-Méthyl-5-{3-[4-(méthylsulfinyl)phényl]-1-benzofuran-5-yl}-1,3,4-oxadiazole [French] [ACD/IUPAC Name]
TCS 2002
[1005201-24-0] [RN]
1,3,4-Oxadiazole,2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzo[b]furanyl]-
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Enzymes Tocris Bioscience 3869
      Glycogen Synthase Kinase 3 Tocris Bioscience 3869
      Kinases Tocris Bioscience 3869
      Potent GSK-3? inhibitor Tocris Bioscience 3869
      Potent GSK-3beta inhibitor Tocris Bioscience 3869
      Potent inhibitor of GSK-3? (IC50 = 35 nM). Oral adminstration inhibits cold water stress-induced tau hyperphosphorylation in the mouse brain. Tocris Bioscience 3869
      Potent inhibitor of GSK-3beta (IC50 = 35 nM). Oral adminstration inhibits cold water stress-induced tau hyperphosphorylation in the mouse brain. Tocris Bioscience 3869

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

Density: 1.4±0.1 g/cm3
Boiling Point: 579.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 304.0±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.19
ACD/KOC (pH 5.5): 299.11
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.19
ACD/KOC (pH 7.4): 299.11
Polar Surface Area: 88 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 235.6±5.0 cm3

Click to predict properties on the Chemicalize site


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