ChemSpider 2D Image | PI 828 | C19H18N2O3

PI 828

  • Molecular FormulaC19H18N2O3
  • Average mass322.358 Da
  • Monoisotopic mass322.131744 Da
  • ChemSpider ID21436318

More details:

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

4H-1-Benzopyran-4-one, 8-(4-aminophenyl)-2-(4-morpholinyl)- [ACD/Index Name]
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
8-(4-Aminophenyl)-2-(4-morpholinyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
8-(4-Aminophenyl)-2-(4-morpholinyl)-4H-chromen-4-one [ACD/IUPAC Name]
8-(4-Aminophényl)-2-(4-morpholinyl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
8-(4-Aminophenyl)-2-(morpholin-4-yl)-4H-chromen-4-one
942289-87-4 [RN]
PI 828
PI-828
[942289-87-4] [RN]
More...

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

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

    • Bio Activity:

      Enzymes Tocris Bioscience 2814
      Kinases Tocris Bioscience 2814
      PI 3-Kinase Tocris Bioscience 2814
      PI 3-Kinase inhibitor (IC50 values are 0.098, 0.183, 0.227 and 1.967 ?M for p110?, p110?, p110? and p110? respectively) that displays higher potency than LY 294002 (Cat No. 1130). Can be immobilized o nto a solid phase. Tocris Bioscience 2814
      PI 3-Kinase inhibitor (IC50 values are 0.098, 0.183, 0.227 and 1.967 ?M for p110?, p110?, p110? and p110? respectively) that displays higher potency than LY 294002 (Cat No. 1130). Can be immobilized onto a solid phase. Tocris Bioscience 2814
      PI 3-Kinase inhibitor (IC50 values are 0.098, 0.183, 0.227 and 1.967 muM for p110beta, p110alpha, p110delta and p110gamma respectively) that displays higher potency than LY 294002 (Cat No. 1130). Can be immobilized onto a solid phase. Tocris Bioscience 2814
      PI 3-kinase inhibitor, more potent than LY 294002 (Cat. No. 1130) Tocris Bioscience 2814

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

Density: 1.3±0.1 g/cm3
Boiling Point: 534.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.9±30.1 °C
Index of Refraction: 1.659
Molar Refractivity: 90.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 26.71
ACD/KOC (pH 5.5): 360.66
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 27.98
ACD/KOC (pH 7.4): 377.70
Polar Surface Area: 65 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 244.9±3.0 cm3

Click to predict properties on the Chemicalize site


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