ChemSpider 2D Image | (1R,2S)-2-[4-(Diisobutylamino)-3-{[(4-methylphenyl)carbamoyl]amino}phenyl]cyclopropanecarboxylic acid | C26H35N3O3

(1R,2S)-2-[4-(Diisobutylamino)-3-{[(4-methylphenyl)carbamoyl]amino}phenyl]cyclopropanecarboxylic acid

  • Molecular FormulaC26H35N3O3
  • Average mass437.574 Da
  • Monoisotopic mass437.267853 Da
  • ChemSpider ID35308358

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2S)-2-[4-(Diisobutylamino)-3-{[(4-methylphenyl)carbamoyl]amino}phenyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,2S)-2-[4-(Diisobutylamino)-3-{[(4-methylphenyl)carbamoyl]amino}phenyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,2S)-2-[4-(diisobutylamino)-3-{[(4-méthylphényl)carbamoyl]amino}phényl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-[4-[bis(2-methylpropyl)amino]-3-[[[(4-methylphenyl)amino]carbonyl]amino]phenyl]-, (1R,2S)- [ACD/Index Name]
(1R,?2S)?-2-?[4-?[bis(2-?methylpropyl)?amino]?-?3-?[[[(4-?methylphenyl)?amino]?carbonyl]?amino]?phenyl]?-Cyclopropanecarboxyl?ic acid?
160416-02-4 [RN]
1629125-65-0 [RN]
IDO-IN-4
MFCD29924711
tert-butyl N-(4,6-dimethoxy-2-pyrimidyl)carbamate
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      IDO MedChem Express HY-18769
      IDO-IN-4 is a potent IDO1 inhibitor with IC50 of 8 nM in human IDO1/HEK293 cells. MedChem Express
      IDO-IN-4 is a potent IDO1 inhibitor with IC50 of 8 nM in human IDO1/HEK293 cells.; IC50 value: 8 nM; Target: IDO1; Detailed information refer to WO2014150677A1. MedChem Express HY-18769
      IDO-IN-4 is a potent IDO1 inhibitor with IC50 of 8 nM in human IDO1/HEK293 cells.;IC50 value: 8 nM;Target: IDO1Detailed information refer to WO2014150677A1. MedChem Express HY-18769
      Metabolic Enzyme/Protease; MedChem Express HY-18769
      Others MedChem Express HY-18769

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 275.9±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.74
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 679.27
ACD/KOC (pH 5.5): 1955.02
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 12.84
ACD/KOC (pH 7.4): 36.96
Polar Surface Area: 82 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 364.2±3.0 cm3

Click to predict properties on the Chemicalize site


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