Products for Research Use Only

PHT-427

CAT: 0013-GTR19174898-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174898-02Size:25 mg
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Description
PHT-427
CAS Number
1191951-57-1
Product Name Alternative
Inhibitor, inhibit, CS 0223, CS0223, CS-0223, Akt, Apoptosis, PHT 427, PHT427, PHT-427, PKB, PDK1, Protein kinase B
Field of Research
Cell Biology, Signal Transduction
Purity
97.54% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.88 mM) ; DMSO:45 mg/mL (109.86 mM)
Smiles
CCCCCCCCCCCCc1ccc (cc1) S (=O) (=O) Nc1nncs1
Molecular Formula
C20H31N3O2S2
Molecular Weight
409.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide

an antineoplastic agent; structure in first source

CAS Number1191951-57-1
PubChem CID44240850
IUPAC Name4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Molecular FormulaC20H31N3O2S2
Molecular Weight409.6
XLogP7.4
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count27
Formal Charge0
Complexity474
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2
InChI
InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
InChIKey
BYWWNRBKPCPJMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CAS: 1191951-57-1
CID: 44240850
Formula: C20H31N3O2S2
MW: 409.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight409.6
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass409.18576959
Monoisotopic Mass409.18576959
Topological Polar Surface Area109 Ų
Heavy Atom Count27
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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