ChemSpider 2D Image | Talmapimod | C27H30ClFN4O3

Talmapimod

  • Molecular FormulaC27H30ClFN4O3
  • Average mass513.003 Da
  • Monoisotopic mass512.199036 Da
  • ChemSpider ID8046764

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Indole-3-acetamide, 6-chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-α-oxo- [ACD/Index Name]
2-(6-Chlor-5-{[(2R,5S)-4-(4-fluorbenzyl)-2,5-dimethyl-1-piperazinyl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamid [German] [ACD/IUPAC Name]
2-(6-Chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-dimethyl-1-piperazinyl]carbonyl}-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide [ACD/IUPAC Name]
2-(6-Chloro-5-{[(2R,5S)-4-(4-fluorobenzyl)-2,5-diméthyl-1-pipérazinyl]carbonyl}-1-méthyl-1H-indol-3-yl)-N,N-diméthyl-2-oxoacétamide [French] [ACD/IUPAC Name]
309913-83-5 [RN]
B1E00KQ6NT
talmapimod [French] [INN]
talmapimod [Spanish] [INN]
Talmapimod [INN] [USAN]
Talmapimod hydrochloride
More...

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

8957 [DBID]
SCIO 469 [DBID]
469 [DBID]
SCIO-469 [DBID]
  • Miscellaneous

    • Chemical Class:

      An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2<stereo>S</st ereo>,5<stereo>R</stereo>)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. ChEBI CHEBI:90683
      An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-f luorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90683

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.7±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 138.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 18.71
ACD/KOC (pH 5.5): 142.26
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 186.61
ACD/KOC (pH 7.4): 1419.11
Polar Surface Area: 66 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 395.5±7.0 cm3

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