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Chemical structure of TAK-441

GC20158

TAK-441

Also known as 6-ethyl-N-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-methyl-4-oxo-5-phenacyl-3-(2,2,2-trifluoroethoxy)pyrrolo[3,2-c]pyridine-2-carboxamide

TAK-441 is a highly potent and orally bioavailable synthetic small molecule Smoothened (Smo) antagonist

ChemicalCAS1186231-83-3MW576.56FormulaC28H31F3N4O6
CAS number
1186231-83-3
Molecular weight
576.56
Formula
C28H31F3N4O6
Solubility
DMSO：Soluble; H2O：Insoluble
InChIKey
ZADWXQMNNVICKB-UHFFFAOYSA-N
Catalogue number
GC20158
Brand
GLPBIO
Computed properties PubChem CID 44187367 · XLogP 2.6 · TPSA 121 Ų · H-bond donors 2
XLogP
2.6
TPSA
121 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
41

SMILES CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4

Computed descriptors from PubChem (CID 44187367), 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
Quoted in ILS, excl. VAT. Add the item to your quote and we confirm the final price, usually the same business day.
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.