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ChemSpider 2D Image | Pictilisib | C23H27N7O3S2


  • Molecular FormulaC23H27N7O3S2
  • Average mass513.636 Da
  • Monoisotopic mass513.161682 Da
  • ChemSpider ID21437049

More details:

Featured data source

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

2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidin [German] [ACD/IUPAC Name]
2-(1H-Indazol-4-yl)-6-{[4-(methylsulfonyl)-1-piperazinyl]methyl}-4-(4-morpholinyl)thieno[3,2-d]pyrimidine [ACD/IUPAC Name]
2-(1H-Indazol-4-yl)-6-{[4-(méthylsulfonyl)-1-pipérazinyl]méthyl}-4-(4-morpholinyl)thiéno[3,2-d]pyrimidine [French] [ACD/IUPAC Name]
957054-30-7 [RN]
GDC 0941
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 093506
    • Target Organs:

      PI3K inhibitor TargetMol T1994
    • Chemical Class:

      A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring. ChEBI CHEBI:65326
    • Bio Activity:

      GDC-0941 is a potent inhibitor of PI3K?/? with IC50 of 3 nM, with modest selectivity against p110? (11-fold) and p110? (25-fold).; IC50 value: 3 nM; Target: PI3K?/?; GDC-0941 is a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer. MedChem Express HY-50094
      PI3K MedChem Express HY-50094
      PI3K/Akt/mTOR MedChem Express HY-50094
      PI3K/Akt/mTOR ; MedChem Express HY-50094
      PI3K/Akt/mTOR Signaling TargetMol T1994
      PI3K??/??;p110??/p110?? TargetMol T1994

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 687.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.7±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.26
ACD/KOC (pH 5.5): 211.65
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.49
ACD/KOC (pH 7.4): 247.25
Polar Surface Area: 144 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 93.3±5.0 dyne/cm
Molar Volume: 333.8±5.0 cm3

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