ChemSpider 2D Image | SCR7 | C18H14N4OS

SCR7

  • Molecular FormulaC18H14N4OS
  • Average mass334.395 Da
  • Monoisotopic mass334.088837 Da
  • ChemSpider ID34500831

  • Double-bond stereo - Double-bond stereo

More details:

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

1533426-72-0 [RN]
4-Pyrimidinol, 2-mercapto-5,6-bis[[(1E)-phenylmethylene]amino]- [ACD/Index Name]
5,6-bis((E)-benzylideneamino)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
5,6-Bis[(E)-benzylidenamino]-2-sulfanyl-4-pyrimidinol [German] [ACD/IUPAC Name]
5,6-Bis[(E)-benzylideneamino]-2-sulfanyl-4-pyrimidinol [ACD/IUPAC Name]
5,6-Bis[(E)-benzylidèneamino]-2-sulfanyl-4-pyrimidinol [French] [ACD/IUPAC Name]
SCR7
[1533426-72-0] [RN]
2,?3-?dihydro-?5,?6-?bis[(E)?-?(phenylmethylene)?amino]?-?2-?thioxo-4(1H)?-?Pyrimidinone
5,6-Bis((E)-benzylideneamino)-2-mercaptopyrimidin-4(3H)-one
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Target Organs:

      DNA/RNA Synthesis inhibitor TargetMol T1724

    • Bio Activity:

      DNA Damage/DNA Repair TargetMol T1724
      DNA Ligase IV TargetMol T1724
      DNA/RNA Synthesis MedChem Express HY-12742
      Others MedChem Express HY-12742
      SCR7 is a molecule that inhibits joining of DSBs in cell-free repair system; inhibits NHEJ(nonhomologous end-joining) in a Ligase IV-dependent manner within cells, and activates the intrinsic apoptoti c pathway. MedChem Express
      SCR7 is a molecule that inhibits joining of DSBs in cell-free repair system; inhibits NHEJ(nonhomologous end-joining) in a Ligase IV-dependent manner within cells, and activates the intrinsic apoptotic pathway.; IC50 value: ~40 nM in Hela and A549 cell [1]; Target: Ligase IV inhibitor; NHEJ inhibitor; in vitro: SCR7 does not induce DSBs directly to the genome and is Ligase IV dependent. MedChem Express HY-12742

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

Density: 1.3±0.1 g/cm3
Boiling Point: 644.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 343.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 98.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 261.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement