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Chemical structure of XL147

GC12709

XL147

Also known as N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide

XL147 (XL147 analogue) is a representative and selective PI3Kα inhibitor extracted from patent WO2012006552A1, Compound 147 in Table 1

ChemicalCAS956958-53-5MW448.52FormulaC21H16N6O2S2
CAS number
956958-53-5
Molecular weight
448.52
Formula
C21H16N6O2S2
Solubility
≥ 22·45mg/mL in DMSO with gentle warming
InChIKey
MQMKRQLTIWPEDM-UHFFFAOYSA-N
Catalogue number
GC12709
Brand
GLPBIO
Computed properties PubChem CID 1893730 · XLogP 4.2 · TPSA 146 Ų · H-bond donors 2
XLogP
4.2
TPSA
146 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
31

SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4

Computed descriptors from PubChem (CID 1893730), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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