ChemSpider 2D Image | MC1568 | C17H15FN2O3

MC1568

  • Molecular FormulaC17H15FN2O3
  • Average mass314.311 Da
  • Monoisotopic mass314.106659 Da
  • ChemSpider ID28189293

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-[5-[(1E)-3-(3-fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-2-propenamide
(2E)-3-{5-[(1E)-3-(3-Fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide [ACD/IUPAC Name]
(2E)-3-{5-[(1E)-3-(3-Fluorophényl)-3-oxo-1-propén-1-yl]-1-méthyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide [French] [ACD/IUPAC Name]
(2E)-3-{5-[(1E)-3-(3-Fluorphenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamid [German] [ACD/IUPAC Name]
2-Propenamide, 3-[5-[(1E)-3-(3-fluorophenyl)-3-oxo-1-propen-1-yl]-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-, (2E)- [ACD/Index Name]
3-[5-(3-(3-Fluorophenyl)-3-oxopropen-1-yl)-1-methyl-1H-pyrrol-2-yl]-N-hydroxy-2-propenamide
852475-26-4 [RN]
MC 1568
MC1568
(2E)-3-{5-[(1E)-3-(3-FLUOROPHENYL)-3-OXOPROP-1-EN-1-YL]-1-METHYL-1H-PYRROL-2-YL}-N-HYDROXYPROP-2-ENAMIDE
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-16914
      Cell Cycle/DNA Damage; MedChem Express HY-16914
      HDAC MedChem Express HY-16914
      MC1568 is a selective class II (IIa) histone deacetylas (HDAC II) inhibitor with IC50 of 220 nM and 176-fold class II selectivity (against class I). MedChem Express
      MC1568 is a selective class II (IIa) histone deacetylas (HDAC II) inhibitor with IC50 of 220 nM and 176-fold class II selectivity (against class I).; IC50 value: 100 nM (HD1-A, Maize); 3400 nM (HD1-B, Maize) [1]; Target: HDAC class II; in vitro: MC1568 is a selective class II (IIa) histone deacetylas (HDAC II) inhibitor with IC50 of 220 nM and 176-fold class II selectivity (against class I). MedChem Express HY-16914

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: 1.572
Molar Refractivity: 85.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.78
ACD/KOC (pH 5.5): 273.11
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.26
ACD/KOC (pH 7.4): 265.04
Polar Surface Area: 71 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 258.6±7.0 cm3

Click to predict properties on the Chemicalize site


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