ChemSpider 2D Image | NVS-1 | C27H37N5O2S

NVS-1

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID57621560

More details:

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

1992047-61-6 [RN]
4-Pyrimidinamine, N-cyclopropyl-2-(propylsulfonyl)-6-[1-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-indol-5-yl]- [ACD/Index Name]
Cyclopropyl-{2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethyl-piperidin-4-yl)-1H-indol-5-yl]-pyrimidin-4-yl}-amine
MFCD30290159
N-cyclopropyl-2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl]pyrimidin-4-amine
N-Cyclopropyl-2-(propylsulfonyl)-6-[1-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-indol-5-yl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-Cyclopropyl-2-(propylsulfonyl)-6-[1-(2,2,6,6-tetramethyl-4-piperidinyl)-1H-indol-5-yl]-4-pyrimidinamine [ACD/IUPAC Name]
N-Cyclopropyl-2-(propylsulfonyl)-6-[1-(2,2,6,6-tétraméthyl-4-pipéridinyl)-1H-indol-5-yl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
NVS-1
NVS-CECR2-1
More...

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

CCRIS 4693 [DBID]
UK 49858 | [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      This probe is supplied in conjunction with the Structural Genomics Consortium. For further characterization details, please visit the NVS-CECR2-1 probe summary on the SGC website. Tocris Bioscience 5744

    • Bio Activity:

      Bromodomains Tocris Bioscience 5744
      Epigenetics Tocris Bioscience 5744
      Potent and selective CECR2 (cat eye syndrome chromosome region, candidate 2) inhibitor (IC50 = 47 nM). Selective for CECR2 over a panel of bromodomains. Tocris Bioscience 5744
      Potent and selective inhibitor of cat eye syndrome chromosome region, candidate 2 (CECR2) Tocris Bioscience 5744

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 6.28
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 8.79
Polar Surface Area: 97 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 380.5±7.0 cm3

Click to predict properties on the Chemicalize site


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