ChemSpider 2D Image | GSK J5 | C24H27N5O2

GSK J5

  • Molecular FormulaC24H27N5O2
  • Average mass417.504 Da
  • Monoisotopic mass417.216461 Da
  • ChemSpider ID30774261

More details:

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

1394854-51-3 [RN]
Ethyl N-[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninate [ACD/IUPAC Name]
Ethyl-N-[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-β-alaninat [German] [ACD/IUPAC Name]
GSK J5
N-[2-(3-Pyridinyl)-6-(1,2,4,5-tétrahydro-3H-3-benzazépin-3-yl)-4-pyrimidinyl]-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-pyrimidinyl]-, ethyl ester [ACD/Index Name]
[1394854-51-3] [RN]
ethyl 3-((2-(pyridin-3-yl)-6-(1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)pyrimidin-4-yl)amino)propanoate
Ethyl 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-3-yl)pyrimidin-4-yl)amino)propanoate
Ethyl 3-[[2-pyridin-3-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This compound is supplied in conjunction with the Structural Genomics Consortium. For further characterization details of GSK J5, a cell permeable inactive isomer of GSK J1, please visit the GSK J1 probe summary on the SGC website. Tocris Bioscience 4689

    • Bio Activity:

      Demethylases Tocris Bioscience 4689
      Enzymes Tocris Bioscience 4689
      Histone Demethylases Tocris Bioscience 4689
      Inactive isomer of GSK J4 (Cat. No. 4594); also cell permeable ester derivative of the inactive control, GSK J2 (Cat. No. 4688) Tocris Bioscience 4689
      Inactive isomer of GSK J4 (Cat. No. 4594); cell permeable Tocris Bioscience 4689
      Inactive isomer of GSK J4; also cell permeable ester derivative of the inactive control, GSK J2. Active Analog also available. Tocris Bioscience 4689

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 120.31
ACD/KOC (pH 5.5): 547.64
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1140.27
ACD/KOC (pH 7.4): 5190.51
Polar Surface Area: 80 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

Click to predict properties on the Chemicalize site


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