ChemSpider 2D Image | SCH 900776 | C15H18BrN7

SCH 900776

  • Molecular FormulaC15H18BrN7
  • Average mass376.254 Da
  • Monoisotopic mass375.080688 Da
  • ChemSpider ID28424100
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

6-Brom-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-3-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amin [German] [ACD/IUPAC Name]
6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-3-piperidinyl]pyrazolo[1,5-a]pyrimidin-7-amine [ACD/IUPAC Name]
6-Bromo-3-(1-méthyl-1H-pyrazol-4-yl)-5-[(3R)-3-pipéridinyl]pyrazolo[1,5-a]pyrimidin-7-amine [French] [ACD/IUPAC Name]
891494-63-6 [RN]
Pyrazolo[1,5-a]pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-3-piperidinyl]- [ACD/Index Name]
SCH 900776
(R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
[891494-63-6]
1-(2-bromoethyl)piperidine hydrobromide
10.1021/jm400136m
More...

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

K2ZSF0992C [DBID]
UNII:K2ZSF0992C [DBID]
UNII-K2ZSF0992C [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-15532
      Cell Cycle/DNA Damage; MedChem Express HY-15532
      Checkpoint Kinase (Chk) MedChem Express HY-15532
      SCH900776 is a potent, selective and orally bioavailable inhibitor of checkpoint kinase Chk1 (IC50 = 3 nM), highly selective against Chk2 (IC50 = 1500 nM) and cyclin-dependent kinase CDK2 (IC50 = 160 nM).; IC50 Value: 3 nM(Chk1); Target: Chk1; in vitro: SCH 900776 is a less potent inhibitor of Chk2 and CDK2 with IC50 of 1.5 ?M and 0.16 ?M, respectively. MedChem Express HY-15532

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.819
Molar Refractivity: 90.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.84
Polar Surface Area: 86 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 208.9±7.0 cm3

Click to predict properties on the Chemicalize site






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