ChemSpider 2D Image | SR8278 | C18H19NO3S2

SR8278

  • Molecular FormulaC18H19NO3S2
  • Average mass361.478 Da
  • Monoisotopic mass361.080627 Da
  • ChemSpider ID28189717

More details:

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

1,2,3,4-Tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-3-isoquinolinecarboxylic acid ethyl ester
1254944-66-5 [RN]
2-{[5-(Méthylsulfanyl)-2-thiényl]carbonyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 2-[5-(methylsulfanyl)thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
ethyl 2-[5-(methylsulfanyl)thiophene-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
Ethyl 2-{[5-(methylsulfanyl)-2-thienyl]carbonyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
Ethyl-2-{[5-(methylsulfanyl)-2-thienyl]carbonyl}-1,2,3,4-tetrahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
MFCD18782736
SR 8278
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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:

      Nuclear Receptors Tocris Bioscience 4463
      Rev-Erb Receptors Tocris Bioscience 4463
      Rev-Erb? antagonist Tocris Bioscience 4463
      Rev-Erb? antagonist; inhibits Rev-Erb? transcriptional repression (EC50 = 0.47 ?M). Blocks activity of Rev-Erb? agonist GSK 4112 (Cat. No. 3663) in HEK293 cells. Increases expression of glucose-regula ting genes, G6Pase and PEPCK in HepG2 cells. Tocris Bioscience 4463
      Rev-Erb? antagonist; inhibits Rev-Erb? transcriptional repression (EC50 = 0.47 ?M). Blocks activity of Rev-Erb? agonist GSK 4112 (Cat. No. 3663) in HEK293 cells. Increases expression of glucose-regulating genes, G6Pase and PEPCK in HepG2 cells. Tocris Bioscience 4463
      Rev-Erbalpha antagonist Tocris Bioscience 4463
      Rev-Erbalpha antagonist; inhibits Rev-Erbalpha transcriptional repression (EC50 = 0.47 muM). Blocks activity of Rev-Erbalpha agonist GSK 4112 (Cat. No. 3663) in HEK293 cells. Increases expression of glucose-regulating genes, G6Pase and PEPCK in HepG2 cells. Tocris Bioscience 4463

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

Density: 1.3±0.1 g/cm3
Boiling Point: 535.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.8±30.1 °C
Index of Refraction: 1.642
Molar Refractivity: 98.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 811.49
ACD/KOC (pH 5.5): 4207.90
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 811.49
ACD/KOC (pH 7.4): 4207.90
Polar Surface Area: 100 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

Click to predict properties on the Chemicalize site


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