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Chemical structure of I-191

GC64979

I-191

Also known as 4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one

I-191 is a potent, selective protease-activated receptor 2 (PAR2) antagonist

ChemicalCAS1690172-25-8MW423.48FormulaC23H26FN5O2
CAS number
1690172-25-8
Molecular weight
423.48
Formula
C23H26FN5O2
Solubility
DMSO ： 8·33 mg/mL (19·67 mM; Need ultrasonic)|Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
DTASTQAQBOZSRR-UHFFFAOYSA-N
Catalogue number
GC64979
Brand
GLPBIO
Computed properties PubChem CID 117977934 · XLogP 3.3 · TPSA 79.6 Ų · H-bond donors 1
XLogP
3.3
TPSA
79.6 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31

SMILES CC1(C(=O)NCCN1C(=O)C2=CN3C(=N2)C(=CC(=N3)C4=CC=C(C=C4)F)C(C)(C)C)C

Computed descriptors from PubChem (CID 117977934), 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
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