epacadostat C11H13BrFN7O4S structure

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Molecular Formula C11H13BrFN7O4S
Average mass 438.233 Da
Density 2.0┬▒0.1 g/cm3
Boiling Point 672.3┬▒65.0 °C at 760 mmHg
Flash Point 360.4┬▒34.3 °C
Molar Refractivity 87.8┬▒0.5 cm3
Polarizability 34.8┬▒0.5 10-24cm3
Surface Tension 77.6┬▒7.0 dyne/cm
Molar Volume 217.3┬▒7.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      DMSO 50 mg/ml MedChem Express HY-15689
      Soluble in DMSO Axon Medchem 1733
      Water 100 mM Methanol MedChem Express HY-15689
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1733
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1733
      no pictogram Axon Medchem 1733
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1733
      Warning Axon Medchem 1733
    • Bio Activity:

      IDO MedChem Express HY-15689
      INCB 024360 is a potent and novel indoleamine-2,3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM. MedChem Express
      INCB 024360 is a potent and novel indoleamine-2,3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM.; IC50 Value: <100 nM [1]; Target: Indoleamine-2,3-dioxygenase ; IDO is an immunomodulatory enzyme produced by some alternatively activated macrophages and other immunoregulatory cells (also used as an immune subversion strategy by many tumors). MedChem Express HY-15689
      INCB 024360 is a potent and novel indoleamine-2,3 dioxygenase (IDO)inhibitor with an IC50 value <100 nM.;IC50 Value: <100 nM [1];Target: Indoleamine-2,3-dioxygenase ;IDO is an immunomodulatory enzyme produced by some alternatively activated macrophages and other immunoregulatory cells (also used as an immune subversion strategy by many tumors). Interferon-gamma has an antiproliferative effect on many tumor cells and inhibits intracellular pathogens such as Toxoplasma and chlamydia, at least partly because of the induction of indoleamine 2,3-dioxygenase. MedChem Express HY-15689
      Metabolic Enzyme/Protease; MedChem Express HY-15689
      Others MedChem Express HY-15689

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 2.0┬▒0.1 g/cm3
Boiling Point: 672.3┬▒65.0 °C at 760 mmHg
Vapour Pressure: 0.0┬▒2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7┬▒3.0 kJ/mol
Flash Point: 360.4┬▒34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 87.8┬▒0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.27
ACD/KOC (pH 5.5): 289.16
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.26
ACD/KOC (pH 7.4): 288.98
Polar Surface Area: 176 Å2
Polarizability: 34.8┬▒0.5 10-24cm3
Surface Tension: 77.6┬▒7.0 dyne/cm
Molar Volume: 217.3┬▒7.0 cm3

Click to predict properties on the Chemicalize site

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