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Chemical structure of PARP-2-IN-1

GC65927

PARP-2-IN-1

Also known as (3S)-N-[5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluoro-3-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

PARP-2-IN-1 is a potent and selective PARP-2 inhibitor with an IC50 of 11·5 nM

ChemicalCAS2115698-83-2MW465.4FormulaC21H19F4N5O3
CAS number
2115698-83-2
Molecular weight
465.4
Formula
C21H19F4N5O3
InChIKey
JZKVDRXHUJSBJE-ZDUSSCGKSA-N
Catalogue number
GC65927
Brand
GLPBIO
Computed properties PubChem CID 132576436 · XLogP 1.9 · TPSA 94.6 Ų · H-bond donors 2
XLogP
1.9
TPSA
94.6 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

SMILES C1CN(C[C@H]1C(=O)NC2=C(N=CC(=C2)CN3C4=CC=CC=C4C(=O)NC3=O)F)CC(F)(F)F

Computed descriptors from PubChem (CID 132576436), 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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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.