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PIK-93

CAT: 0931-T2616-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T2616-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
593960-11-3
Target
HSV, ATM/ATR, Carbonic Anhydrase, mTOR, DNA-PK, PI3K, PI4K, Virus Protease
Related Pathways
DNA Damage/DNA Repair, PI3K/Akt/mTOR signaling, Microbiology/Virology, Metabolism
Purity
0.9983
Bioactivity
PIK-93, the first potent synthetic PI4K inhibitor, exhibits an IC50 of 19 nM and also inhibits PI3Kα with an IC50 of 39 nM.
Smiles
CC(=O)Nc1nc(C)c(s1)-c1ccc(Cl)c(c1)S(=O)(=O)NCCO
Molecular Formula
C14H16ClN3O4S2
Molecular Weight
389.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide
CAS Number593960-11-3
PubChem CID6852167
IUPAC NameN-[5-[4-chloro-3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
Molecular FormulaC14H16ClN3O4S2
Molecular Weight389.9
XLogP1.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity543
SMILES
CC1=C(SC(=N1)NC(=O)C)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCCO
InChI
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)
InChIKey
JFVNFXCESCXMBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-{4-Chloro-3-[(2-hydroxyethyl)sulfamoyl]phenyl}-4-methyl-1,3-thiazol-2-yl)acetamide
CAS: 593960-11-3
CID: 6852167
Formula: C14H16ClN3O4S2
MW: 389.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.9
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass389.0270760
Monoisotopic Mass389.0270760
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity543
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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