ChemSpider 2D Image | 4-Dodecyl-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide | C20H31N3O2S2

4-Dodecyl-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide

  • Molecular FormulaC20H31N3O2S2
  • Average mass409.609 Da
  • Monoisotopic mass409.185760 Da
  • ChemSpider ID24647265

More details:






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

1191951-57-1 [RN]
4-Dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide [ACD/IUPAC Name]
4-Dodécyl-N-(1,3,4-thiadiazol-2-yl)benzènesulfonamide [French] [ACD/IUPAC Name]
4-Dodecyl-N-(1,3,4-thiadiazol-2-yl)benzolsulfonamid [German] [ACD/IUPAC Name]
4-Dodecyl-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
Benzenesulfonamide, 4-dodecyl-N-1,3,4-thiadiazol-2-yl- [ACD/Index Name]
4-Dodecyl-N-(1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide
4-dodecyl-N-1,3,4-thiadiazol-2-yl-benzenesulfonamide
MFCD18384970 [MDL number]
Not available

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

PHT-427 [DBID]
CCRIS 4693 [DBID]
PHT 427 [DBID]
PHT427 [DBID]
PubChem Substance ID 329825761 [DBID]
  • References
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1870
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1870
      no pictogram Axon Medchem 1870
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1870
      Warning Axon Medchem 1870
    • Target Organs:

      Akt inhibitor; PDK inhibitor TargetMol T2420
    • Bio Activity:

      Akt MedChem Express HY-12063
      Akt (PKB) and phosphatidylinositol 3-kinase (PDPK1) inhibitor (K<sub>i</sub> values are 2.7 and 5.2 &micro;M respectively). Binds at the pleckstrin homology (PH) domain of AKT and PDPK1. Shows anti-tumor and apoptotic actions. Hello Bio [HB1251]
      Akt (Protein Kinase B) Tocris Bioscience 4598
      Akt / PDPK1 inhibitor Hello Bio [HB1251]
      Akt, PDK-1 TargetMol T2420
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio [HB1251]
      Dual Akt and PDK1 inhibitor; antitumor Tocris Bioscience 4598
      Dual Akt and PDK1 inhibitor; binds the pleckstrin homology (PH) domain of Akt and PDK1 (Ki values are 2.7 and 5.2 ?M, respectively). Inhibits Akt phosphorylation and Akt downstream targets; also induc es apoptosis in vitro. Displays synergistic antitumor effect when combined with chemotherapeutics in breast cancer mouse models. Tocris Bioscience 4598
      Dual Akt and PDK1 inhibitor; binds the pleckstrin homology (PH) domain of Akt and PDK1 (Ki values are 2.7 and 5.2 ?M, respectively). Inhibits Akt phosphorylation and Akt downstream targets; also induces apoptosis in vitro. Displays synergistic antitumor effect when combined with chemotherapeutics in breast cancer mouse models. Tocris Bioscience 4598
      Dual Akt and PDK1 inhibitor; binds the pleckstrin homology (PH) domain of Akt and PDK1 (Ki values are 2.7 and 5.2 muM, respectively). Inhibits Akt phosphorylation and Akt downstream targets; also induces apoptosis in vitro. Displays synergistic antitumor effect when combined with chemotherapeutics in breast cancer mouse models. Tocris Bioscience 4598
      Enzymes Tocris Bioscience 4598
      Enzymes/Kinase/Akt / PKB Hello Bio [HB1251]
      Kinases Tocris Bioscience 4598
      PHT-427 is a dual Akt and PDPK1 inhibitor (high affinity binding for the PH domains of Akt and PDPK1) with Ki of 2.7 ?M and 5.2 ?M, respectively.; IC50 value: 2.7/5.2 uM (Ki, Akt/PDPK1) [1]; Target: Akt/PDPK1; in vitro: PH-427 is a pleckstrin homology domain inhibitor to Akt/PDPK1. MedChem Express HY-12063
      PI3K/Akt/mTOR MedChem Express HY-12063
      PI3K/Akt/mTOR ; MedChem Express HY-12063
      PI3K/Akt/mTOR Signaling TargetMol T2420

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.0±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±3.0 kJ/mol
Flash Point: 277.4±28.2 °C
Index of Refraction: 1.556
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 7.23
ACD/BCF (pH 5.5): 176492.61
ACD/KOC (pH 5.5): 189367.56
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 15717.40
ACD/KOC (pH 7.4): 16863.96
Polar Surface Area: 109 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 352.4±3.0 cm3

Click to predict properties on the Chemicalize site






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