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PHT-427

CAT: 0607-A5884-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A5884-50Size:50 mg
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Description
Akt and PDPK1 inhibitor
CAS Number
1191951-57-1
Product Name Alternative
4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Field of Research
PI3K Akt mTOR Signaling Akt
Purity
0.9917
Solubility
insoluble in H2O; ≥20.5 mg/mL in DMSO; ≥51.1 mg/mL in EtOH with ultrasonic
Smiles
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)NC2=NN=CS2
Molecular Formula
C20H31N3O2S2
Molecular Weight
409.61
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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...
View on PubChemRaw 3D data
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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CatalogName
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