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Chemical structure of TAK-779

GC37724

TAK-779

Also known as dimethyl-[[4-[[3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carbonyl]amino]phenyl]methyl]-(oxan-4-yl)azanium chloride

An antagonist of CCR5, CXCR3, and CCR2b

ChemicalCAS229005-80-5MW531.13FormulaC33H39ClN2O2
CAS number
229005-80-5
Molecular weight
531.13
Formula
C33H39ClN2O2
Solubility
DMSO： ≥ 25 mg/mL (47·07 mM); Water： 16·66 mg/mL (31·37 mM and warming)
InChIKey
VDALIBWXVQVFGZ-UHFFFAOYSA-N
Catalogue number
GC37724
Brand
GLPBIO
Computed properties PubChem CID 183789 · TPSA 38.3 Ų · H-bond donors 1 · H-bond acceptors 3
TPSA
38.3 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
38

SMILES CC1=CC=C(C=C1)C2=CC3=C(CCCC(=C3)C(=O)NC4=CC=C(C=C4)C[N+](C)(C)C5CCOCC5)C=C2.[Cl-]

Computed descriptors from PubChem (CID 183789), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
Ships from the manufacturer to your lab in 8–14 business days; customs and cold chain handled by LABO Scientific.
Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
Who we serve
Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.