ChemSpider 2D Image | NI-42 | C18H15N3O3S

NI-42

  • Molecular FormulaC18H15N3O3S
  • Average mass353.395 Da
  • Monoisotopic mass353.083405 Da
  • ChemSpider ID58142603

More details:

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

1884640-99-6 [RN]
4-Cyan-N-(1,3-dimethyl-2-oxo-1,2-dihydro-6-chinolinyl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)benzenesulfonamide
4-Cyano-N-(1,3-diméthyl-2-oxo-1,2-dihydro-6-quinoléinyl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydro-6-quinolinyl)benzenesulfonamide [ACD/IUPAC Name]
4-cyano-N-(1,3-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide
Benzenesulfonamide, 4-cyano-N-(1,2-dihydro-1,3-dimethyl-2-oxo-6-quinolinyl)- [ACD/Index Name]
MFCD30290161
NI-42
[1884640-99-6] [RN]
More...

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

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

    • Bio Activity:

      Bromodomains Tocris Bioscience 5786
      Epigenetics Tocris Bioscience 5786
      High affinity BRPF inhibitor Tocris Bioscience 5786
      High affinity BRPF inhibitor (Kd values are 40, 210 and 943 nM for BRPF1B, 2 and 3, respectively). Also exhibits modest activity at BRD9 (Kd = 1130 nM). Exhibits selectivity for BRPF over 44 other bromodomains. Orally bioavailable. Tocris Bioscience 5786

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

Density: 1.4±0.1 g/cm3
Boiling Point: 554.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.2±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.60
ACD/KOC (pH 5.5): 411.32
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 20.16
ACD/KOC (pH 7.4): 262.42
Polar Surface Area: 99 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 245.6±5.0 cm3

Click to predict properties on the Chemicalize site


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