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Chemical structure of SCH 546738

GC37605

SCH 546738

Also known as 3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carboxamide

SCH 546738 is a potent, orally active and non-competitive CXCR3 antagonist, the affinity constant (Ki) of SCH 546738 binding to human CXCR3 receptor is determined to be 0·4 nM in multiple experiments

ChemicalCAS906805-42-3MW492.44FormulaC23H31Cl2N7O
CAS number
906805-42-3
Molecular weight
492.44
Formula
C23H31Cl2N7O
Solubility
DMSO： 4·5 mg/mL (9·14 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
UYDYJFWSPRQEAX-KRWDZBQOSA-N
Catalogue number
GC37605
Brand
GLPBIO
Computed properties PubChem CID 11995774 · XLogP 4.1 · TPSA 105 Ų · H-bond donors 2
XLogP
4.1
TPSA
105 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
33

SMILES CC[C@H]1CN(CCN1C2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=NC(=C(N=C4Cl)C(=O)N)N

Computed descriptors from PubChem (CID 11995774), 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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