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Chemical structure of GPR183 antagonist-2

GC71487

GPR183 antagonist-2

Also known as (E)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]prop-2-en-1-one

GPR183 antagonist-2 (compound 32) is a selective GPR183 antagonist with good water solubility and excellent pharmacokinetic properties

ChemicalCAS2924063-98-7MW432.38FormulaC20H18F2N4O5
CAS number
2924063-98-7
Molecular weight
432.38
Formula
C20H18F2N4O5
Solubility
DMSO : 100 mg/mL (231·28 mM; ultrasonic and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
VLODLHKKDGGSJO-HWKANZROSA-N
Catalogue number
GC71487
Brand
GLPBIO
Computed properties PubChem CID 169494480 · XLogP 1.9 · TPSA 94.1 Ų · H-bond donors 0
XLogP
1.9
TPSA
94.1 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
31

SMILES COC1=NC=C(C=N1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OC(O4)(F)F

Computed descriptors from PubChem (CID 169494480), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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