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Chemical structure of Simmiparib

GC67962

Simmiparib

Also known as 4-[[4-fluoro-3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one

Simmiparib (catalogue number GC67962) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 1551355-46-4. Molecular formula C23H18F4N6O2, molecular weight 486.42. IUPAC name: 4-[[4-fluoro-3-[5-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one. Supplied in 2 pack sizes, from 10mg at ₪2,129.19 to 25mg at ₪4,038.13; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS1551355-46-4MW486.42FormulaC23H18F4N6O2
CAS number
1551355-46-4
Molecular weight
486.42
Formula
C23H18F4N6O2
Solubility
DMSO ： 100 mg/mL (205·58 mM; ultrasonic and warming and heat to 60°C)
InChIKey
QNQFPYADHVFRKQ-UHFFFAOYSA-N
Catalogue number
GC67962
Brand
GLPBIO
Computed properties PubChem CID 72736758 · XLogP 2.2 · TPSA 92.5 Ų · H-bond donors 1
XLogP
2.2
TPSA
92.5 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
35

SMILES CC1CN(CC2=NN=C(N12)C(F)(F)F)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Computed descriptors from PubChem (CID 72736758), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.