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Chemical structure of CCR5 antagonist 1

GC32367

CCR5 antagonist 1

Also known as N-tert-butyl-4-chloro-2-fluoro-5-[4-(3-fluorophenyl)-4-[2-[(1R,5S)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]piperidine-1-carbonyl]benzenesulfonamide

CCR5 antagonist 1 is a CCR5 antagonist which can inhibit HIV replication extracted from WO 2004054974 A2

ChemicalCAS716354-86-8MW738.33FormulaC39H46ClF2N5O3S
CAS number
716354-86-8
Molecular weight
738.33
Formula
C39H46ClF2N5O3S
Solubility
Soluble in DMSO
InChIKey
ZYJBOSYROBLSKR-BWMKXQIXSA-N
Catalogue number
GC32367
Brand
GLPBIO
Computed properties PubChem CID 11216356 · XLogP 7.5 · TPSA 95.9 Ų · H-bond donors 1
XLogP
7.5
TPSA
95.9 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
51

SMILES CC1=NC2=CC=CC=C2N1C3C[C@H]4CC[C@@H](C3)N4CCC5(CCN(CC5)C(=O)C6=CC(=C(C=C6Cl)F)S(=O)(=O)NC(C)(C)C)C7=CC(=CC=C7)F

Computed descriptors from PubChem (CID 11216356), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Pricing
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Documents
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.