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Chemical structure of PARP7-IN-16

GC73639

PARP7-IN-16

Also known as sodium 1-[[4-fluoro-3-(3-oxo-4-pentan-3-ylpiperazine-1-carbonyl)phenyl]methyl]quinazolin-3-ide-2,4-dione

PARP7-IN-16 (compound 36) is a potent, selective and orally active inhibitor of PARP-1/2/7, with IC50s of 0·94, 0·87 and 0·21 nM, respectively

ChemicalCAS2435657-10-4MW488.49FormulaC25H26FN4NaO4
CAS number
2435657-10-4
Molecular weight
488.49
Formula
C25H26FN4NaO4
Solubility
DMSO ： 100 mg/mL (204·71 mM; Need ultrasonic)
InChIKey
HBKQJEOJZXXHOE-UHFFFAOYSA-M
Catalogue number
GC73639
Brand
GLPBIO
Computed properties PubChem CID 169450724 · TPSA 79 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
79 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

SMILES CCC(CC)N1CCN(CC1=O)C(=O)C2=C(C=CC(=C2)CN3C4=CC=CC=C4C(=O)[N-]C3=O)F.[Na+]

Computed descriptors from PubChem (CID 169450724), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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