ChemSpider 2D Image | SR6452 | C18H21ClN2O4S

SR6452

  • Molecular FormulaC18H21ClN2O4S
  • Average mass396.888 Da
  • Monoisotopic mass396.091064 Da
  • ChemSpider ID24606038

More details:






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

1,1-Dimethylethyl N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate
1216744-19-2 [RN]
2-Methyl-2-propanyl N-(4-chlorobenzyl)-N-[(5-nitro-2-thienyl)methyl]glycinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-(4-chlorbenzyl)-N-[(5-nitro-2-thienyl)methyl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
GSK4112
MFCD12912412
N-(4-Chlorobenzyl)-N-[(5-nitro-2-thiényl)méthyl]glycinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
SR6452
tert-Butyl N-(4-chlorobenzyl)-N-[(5-nitro-2-thienyl)methyl]glycinate
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  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 3663
      Rev-Erb Receptors Tocris Bioscience 3663
      Selective Rev-Erb? agonist Tocris Bioscience 3663
      Selective Rev-Erb? agonist (EC50 = 250 nM). Enhances recruitment of nuclear receptor co-repressor (NCoR) peptide to Rev-Erb?; causes acute suppression of Bmal1 gene transcription. Induces phase shifts in the circadian clock. Tocris Bioscience 3663
      Selective Rev-Erb? agonist (EC50 = 250 nM). Enhances recruitment of nuclear receptor co-repressor (NCoR) peptide to Rev-Erb?; causes acute suppression of Bmal1 gene transcription. Induces phase shifts in the circadian clock. Tocris Bioscience 3663
      Selective Rev-Erbalpha agonist Tocris Bioscience 3663
      Selective Rev-Erbalpha agonist (EC50 = 250 nM). Enhances recruitment of nuclear receptor co-repressor (NCoR) peptide to Rev-Erbalpha; causes acute suppression of Bmal1 gene transcription. Induces phase shifts in the circadian clock. Tocris Bioscience 3663

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

Density: 1.3±0.1 g/cm3
Boiling Point: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 103.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3263.78
ACD/KOC (pH 5.5): 11320.63
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3338.92
ACD/KOC (pH 7.4): 11581.24
Polar Surface Area: 104 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 306.0±3.0 cm3

Click to predict properties on the Chemicalize site






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