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Chemical structure of TAS1553

GC68033

TAS1553

Also known as 5-chloro-2-[[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-oxo-3H-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide

TAS1553 is a potent, orally active protein-protein interaction (PPI) inhibitor with an IC50 values of 0·0396 μM

ChemicalCAS2166023-31-8MW482.91FormulaC20H20ClFN4O5S
CAS number
2166023-31-8
Molecular weight
482.91
Formula
C20H20ClFN4O5S
Solubility
DMSO ： 100 mg/mL (207·08 mM; Need ultrasonic)
InChIKey
DUYRWEBTZNUILI-DIFFPNOSSA-N
Catalogue number
GC68033
Brand
GLPBIO
Computed properties PubChem CID 132203319 · XLogP 3.1 · TPSA 148 Ų · H-bond donors 3
XLogP
3.1
TPSA
148 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
32

SMILES CC1=C(C(=C(C=C1)F)[C@@H](C)[C@@H](C2=NNC(=O)O2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)C(=O)N)C

Computed descriptors from PubChem (CID 132203319), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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