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PI-273

CAT: 0931-T12454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12454-01Size:1 mg
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CAS Number
925069-34-7
Target
Apoptosis, PI4K
Related Pathways
Apoptosis, PI3K/Akt/mTOR signaling
Purity
0.9963
Bioactivity
PI-273, a Substrate-Competitive, Specific Small-Molecule Inhibitor of PI4KIIα, Inhibits the Growth of Breast Cancer Cells
Smiles
CCc1c(C)sc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1C(N)=O
Molecular Formula
C16H16ClN3O2S2
Molecular Weight
381.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(3-(4-Chlorobenzoyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxamide

a PI4KIIalpha inhibitor; structure in first source

CAS Number925069-34-7
PubChem CID17168969
IUPAC Name2-[(4-chlorobenzoyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxamide
Molecular FormulaC16H16ClN3O2S2
Molecular Weight381.9
XLogP4.2
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity498
SMILES
CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H16ClN3O2S2/c1-3-11-8(2)24-15(12(11)13(18)21)20-16(23)19-14(22)9-4-6-10(17)7-5-9/h4-7H,3H2,1-2H3,(H2,18,21)(H2,19,20,22,23)
InChIKey
MIERMBQDBLFAFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-(4-Chlorobenzoyl)thioureido)-4-ethyl-5-methylthiophene-3-carboxamide
CAS: 925069-34-7
CID: 17168969
Formula: C16H16ClN3O2S2
MW: 381.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.9
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass381.0372468
Monoisotopic Mass381.0372468
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity498
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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