ChemSpider 2D Image | A-867744 | C20H19ClN2O3S

A-867744

  • Molecular FormulaC20H19ClN2O3S
  • Average mass402.895 Da
  • Monoisotopic mass402.080475 Da
  • ChemSpider ID23338830

More details:






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

1000279-69-5 [RN]
4-[5-(4-Chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl]benzenesulfonamide [ACD/IUPAC Name]
4-[5-(4-Chlorophényl)-2-méthyl-3-propionyl-1H-pyrrol-1-yl]benzènesulfonamide [French] [ACD/IUPAC Name]
4-[5-(4-Chlorphenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl]benzolsulfonamid [German] [ACD/IUPAC Name]
A-867744
O6NW23A765
[1000279-69-5] [RN]
4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide
4-(5-(4-Chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)-benzenesulfonamide
4-?[5-?(4-?chlorophenyl)?-?2-?methyl-?3-?(1-?oxopropyl)?-?1H-?pyrrol-?1-?yl]?-Benzenesulfonamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      A-867744 is a positive allosteric modulator of ?7 nAChRs (IC50 values are 0.98 and 1.12 ?M for human and rat ?7 receptor ACh-evoked currents respectively, in X. MedChem Express HY-12149
      Acetylcholine (Nicotinic) Receptors Tocris Bioscience 4571
      Ion Channels Tocris Bioscience 4571
      Ligand-gated Ion Channels Tocris Bioscience 4571
      Membrane Tranporter/Ion Channel MedChem Express HY-12149
      Membrane Tranporter/Ion Channel; Neuronal Signaling; MedChem Express HY-12149
      nAChR MedChem Express HY-12149
      Positive allosteric modulator of ?7 nAChR Tocris Bioscience 4571
      Positive allosteric modulator of ?7 nAChRs (IC50 values are 0.98 and 1.12 ?M for human and rat ?7 receptor ACh-evoked currents respectively, in X. laevis oocytes). Displays no activity at 5-HT3A, ?3?4 or ?4?2 nAChRs. Brain penetrant. Tocris Bioscience 4571
      Positive allosteric modulator of ?7 nAChRs (IC50 values are 0.98 and 1.12 ?M for human and rat ?7 receptor ACh-evoked currents respectively, in X. laevis oocytes). Displays no activity at 5-HT3A, ?3?4 or ?4?2 nAChRs. Brain penetrant. Tocris Bioscience 4571
      Positive allosteric modulator of alpha7 nAChR Tocris Bioscience 4571
      Positive allosteric modulator of alpha7 nAChRs (IC50 values are 0.98 and 1.12 muM for human and rat alpha7 receptor ACh-evoked currents respectively, in X. laevis oocytes). Displays no activity at 5-HT3A, alpha3beta4 or alpha4beta2 nAChRs. Brain penetrant. Tocris Bioscience 4571

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.7±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 973.23
ACD/KOC (pH 5.5): 4792.44
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 968.33
ACD/KOC (pH 7.4): 4768.30
Polar Surface Area: 91 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 301.6±7.0 cm3

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