ChemSpider 2D Image | me0328 | C19H19N3O2

me0328

  • Molecular FormulaC19H19N3O2
  • Average mass321.373 Da
  • Monoisotopic mass321.147736 Da
  • ChemSpider ID30774269

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1445251-22-8 [RN]
2-Quinazolinepropanamide, 3,4-dihydro-4-oxo-N-[(1S)-1-phenylethyl]- [ACD/Index Name]
3-(4-Oxo-1,4-dihydro-2-chinazolinyl)-N-[(1S)-1-phenylethyl]propanamid [German] [ACD/IUPAC Name]
3-(4-Oxo-1,4-dihydro-2-quinazolinyl)-N-[(1S)-1-phenylethyl]propanamide [ACD/IUPAC Name]
3-(4-Oxo-1,4-dihydro-2-quinazolinyl)-N-[(1S)-1-phényléthyl]propanamide [French] [ACD/IUPAC Name]
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-Phenylethyl]propanamide
3-(4-OXO-3H-QUINAZOLIN-2-YL)-N-[(1S)-1-PHENYLETHYL]PROPANAMIDE
me0328
(S)-3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-(1-phenylethyl)propanamide
[1445251-22-8] [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 5054
      Inhibitor of PARP-3 (IC50 = 0.89 ?M). Displays selectivity for PARP-3 over PARP-1, PARP-2 and other ARDT enzymes (IC50 values are 6.3, 10.8 and >30 ?M respectively). Cell permeable. Tocris Bioscience 5054
      Inhibitor of PARP-3 (IC50 = 0.89 ?M). Displays selectivity for PARP-3 over PARP-1, PARP-2 and other ARDT enzymes (IC50 values are 6.3, 10.8 and >30 ?M respectively). Enhances CRISPR-Cas9-mediated HER2 mutation frequency, resulting in increased reduction in proliferation of HER2-positive breast cancer cells. Cell permeable. Tocris Bioscience 5054
      Inhibitor of PARP-3 (IC50 = 0.89 muM). Displays selectivity for PARP-3 over PARP-1, PARP-2 and other ARDT enzymes (IC50 values are 6.3, 10.8 and >30 muM respectively). Enhances CRISPR-Cas9-mediated HER2 mutation frequency, resulting in increased reduction in proliferation of HER2-positive breast cancer cells. Cell permeable. Tocris Bioscience 5054
      Poly(ADP-ribose) Polymerase Tocris Bioscience 5054
      Polymerases Tocris Bioscience 5054
      Selective PARP-3 inhibitor Tocris Bioscience 5054

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 93.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.86
ACD/KOC (pH 5.5): 273.95
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.87
ACD/KOC (pH 7.4): 274.05
Polar Surface Area: 71 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 260.7±7.0 cm3

Click to predict properties on the Chemicalize site


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