ChemSpider 2D Image | (5S)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methyl-2,4-imidazolidinedione | C13H12ClN3O2

(5S)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methyl-2,4-imidazolidinedione

  • Molecular FormulaC13H12ClN3O2
  • Average mass277.706 Da
  • Monoisotopic mass277.061798 Da
  • ChemSpider ID23263079

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-5-[(7-Chlor-1H-indol-3-yl)methyl]-3-methyl-2,4-imidazolidindion [German] [ACD/IUPAC Name]
(5S)-5-[(7-Chloro-1H-indol-3-yl)methyl]-3-methyl-2,4-imidazolidinedione [ACD/IUPAC Name]
(5S)-5-[(7-Chloro-1H-indol-3-yl)méthyl]-3-méthyl-2,4-imidazolidinedione [French] [ACD/IUPAC Name]
(5S)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
2,4-imidazolidinedione, 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methyl-, (5S)- [ACD/Index Name]
(5S)?-5-?[(7-?chloro-?1H-?indol-?3-?yl)?methyl]?-?3-?methyl-?2,?4-?Imidazolidinedione
(S)-5-((7-chloro-1H-indol-3-yl)methyl)-3-methylimidazolidine-2,4-dione
(S)-5-(7-Chloro-1H-indol-3-ylmethyl)-3-methyl-imidazolidine-2,4-dione
852391-20-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL365607/
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  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Apoptosis MedChem Express HY-14622B
      Apoptosis; MedChem Express HY-14622B
      Necrostatin 2 is a potent necroptosis inhibitor with EC50 of 50 nM. MedChem Express
      Necrostatin 2 is a potent necroptosis inhibitor with EC50 of 50 nM.; IC50 Value: 50 nM (EC50) [1]; Target: TNF-alpha; Necrostatin 2 is a potent in vitro necroptosis inhibitors (exemplified by 1, EC50-0.05 uM) that also were efficacious in an animal model of ischemic stroke. MedChem Express HY-14622B
      Necrostatin 2 is a potent necroptosis inhibitor with EC50 of 50 nM.;IC50 Value: 50 nM (EC50) [1];Target: TNF-alphaNecrostatin 2 is a potent in vitro necroptosis inhibitors (exemplified by 1, EC50-0.05 uM) that also were efficacious in an animal model of ischemic stroke. Many Necroptosis inhibitor derivatives are designed for researchers.Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-a. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). MedChem Express HY-14622B
      TNF-alpha MedChem Express HY-14622B

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.65
ACD/KOC (pH 5.5): 364.78
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 24.94
ACD/KOC (pH 7.4): 341.30
Polar Surface Area: 65 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 191.5±3.0 cm3

Click to predict properties on the Chemicalize site


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