ChemSpider 2D Image | CU-CPT4a | C18H13ClFNO3S

CU-CPT4a

  • Molecular FormulaC18H13ClFNO3S
  • Average mass377.817 Da
  • Monoisotopic mass377.028870 Da
  • ChemSpider ID30774264

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1279713-77-7 [RN]
CU-CPT4a
D-Phenylalanine, N-[(3-chloro-6-fluorobenzo[b]thien-2-yl)carbonyl]- [ACD/Index Name]
N-[(3-Chlor-6-fluor-1-benzothiophen-2-yl)carbonyl]-D-phenylalanin [German] [ACD/IUPAC Name]
N-[(3-Chloro-6-fluoro-1-benzothiophen-2-yl)carbonyl]-D-phenylalanine [ACD/IUPAC Name]
N-[(3-Chloro-6-fluoro-1-benzothiophén-2-yl)carbonyl]-D-phénylalanine [French] [ACD/IUPAC Name]
[1279713-77-7] [RN]
CU CPT 4a
CUCPT4a
N-[(3-chloro-6-fluorobenzo[b]thien-2-yl)carbonyl]-D-phenylalanine

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

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

    • Safety:

      Sold under license from the University of Colorado Tocris Bioscience 4883

    • Bio Activity:

      Enzyme-Linked Receptors Tocris Bioscience 4883
      Selective TLR3 inhibitor Tocris Bioscience 4883
      Selective TLR3 inhibitor (IC50 = 3.44 ?M in RAW 264.7 cells); suppresses downstream signaling pathways mediated by the TLR3/dsRNA complex, inhibiting TNF-? and IL-1? production in whole cells. Tocris Bioscience 4883
      Selective TLR3 inhibitor (IC50 = 3.44 muM in RAW 264.7 cells); suppresses downstream signaling pathways mediated by the TLR3/dsRNA complex, inhibiting TNF-alpha and IL-1beta production in whole cells. Reduces death of crypt cells and improves gastrointestinal syndrome in mice. Tocris Bioscience 4883
      Toll-like Receptors Tocris Bioscience 4883

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

Density: 1.5±0.1 g/cm3
Boiling Point: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 321.8±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 20.02
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site


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