ChemSpider 2D Image | 1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(1H-tetrazol-5-yl)phenyl)thiourea | C16H9BrF6N6S

1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(1H-tetrazol-5-yl)phenyl)thiourea

  • Molecular FormulaC16H9BrF6N6S
  • Average mass511.242 Da
  • Monoisotopic mass509.969696 Da
  • ChemSpider ID21377761

More details:

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

1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-bromo-2-(1H-tetrazol-5-yl)phenyl)thiourea
1-[3,5-Bis(trifluormethyl)phenyl]-3-[4-brom-2-(1H-tetrazol-5-yl)phenyl]thioharnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(1H-tetrazol-5-yl)phenyl]thiourea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-[4-bromo-2-(1H-tétrazol-5-yl)phényl]thiourée [French] [ACD/IUPAC Name]
3-[3,5-bis(trifluoromethyl)phenyl]-1-[4-bromo-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]thiourea
956014-19-0 [RN]
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-thiourea
NS 11021 [Trade name]
Thiourea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[4-bromo-2-(1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
[956014-19-0] [RN]
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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:

      Activator of BKCa (KCa1.1) channels Tocris Bioscience 4788
      Activator of large-conductance Ca2+-activated potassium channels (BKCa, KCa1.1). Exhibits no modulatory effect on a variety of K+ (KV), Na+ and Ca2+ currents at concentrations <10 ?M. Alters gating ki netics, but does not affect single channel conductance. Shown to bind BKCa in open and closed conformations; thought to bind the ? subunit. Tocris Bioscience 4788
      Activator of large-conductance Ca2+-activated potassium channels (BKCa, KCa1.1). Exhibits no modulatory effect on a variety of K+ (KV), Na+ and Ca2+ currents at concentrations <10 ?M. Alters gating kinetics, but does not affect single channel conductance. Shown to bind BKCa in open and closed conformations; thought to bind the ? subunit. Tocris Bioscience 4788
      Activator of large-conductance Ca2+-activated potassium channels (BKCa, KCa1.1). Exhibits no modulatory effect on a variety of K+ (KV), Na+ and Ca2+ currents at concentrations <10 muM. Alters gating kinetics, but does not affect single channel conductance. Shown to bind BKCa in open and closed conformations; thought to bind the alpha subunit. Tocris Bioscience 4788
      Ca2+-Activated Potassium Channels Tocris Bioscience 4788
      Ion Channels Tocris Bioscience 4788
      Potassium Channels Tocris Bioscience 4788
      Potent and selective K<sub>Ca</sub>1.1 channel activator. Alters gating kinetics of K<sub>Ca</sub> channels, increasing the open channel probability without affecting single channel conductance. Exhibits approx 10 times higher potency than NS 1619. Displays cytoprotective properties. Hello Bio HB1047

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

Density: 1.8±0.1 g/cm3
Boiling Point: 507.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.7±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 353.79
ACD/KOC (pH 5.5): 848.96
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 124.88
ACD/KOC (pH 7.4): 299.67
Polar Surface Area: 111 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 284.2±3.0 cm3

Click to predict properties on the Chemicalize site


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