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Chemical structure of Darapladib

GC12361

Darapladib

Also known as N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

A reversible inhibitor of Lp-PLA2

ChemicalCAS356057-34-6MW666.77FormulaC36H38F4N4O2S
CAS number
356057-34-6
Molecular weight
666.77
Formula
C36H38F4N4O2S
Solubility
≥ 32·95 mg/mL in DMSO, ≥ 891 mg/mL in EtOH
InChIKey
WDPFJWLDPVQCAJ-UHFFFAOYSA-N
Catalogue number
GC12361
Brand
GLPBIO
Computed properties PubChem CID 9939609 · XLogP 7 · TPSA 81.5 Ų · H-bond donors 0
XLogP
7
TPSA
81.5 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
47

SMILES CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F

Computed descriptors from PubChem (CID 9939609), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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