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Chemical structure of CA inhibitor 1

GC68449

CA inhibitor 1

Also known as N-[(1R)-1-[3-[4-chloro-3-(cyclopropylsulfonylamino)-1-(2,2-difluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[(2R,4S)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide

CA inhibitor 1 (catalogue number GC68449) is a research-grade chemical available from LABO Scientific in Israel, CAS registry number 2189684-45-3. Molecular formula C41H36ClF8N7O5S2, molecular weight 958.34. IUPAC name: N-[(1R)-1-[3-[4-chloro-3-(cyclopropylsulfonylamino)-1-(2,2-difluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[(2R,4S)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide. Supplied in 4 pack sizes, from 5mg at ₪1,027.89 to 50mg at ₪5,506.54; the final price is confirmed on your quote, and the lot certificate of analysis and safety data sheet are emailed with your order confirmation.

ChemicalCAS2189684-45-3MW958.34FormulaC41H36ClF8N7O5S2
CAS number
2189684-45-3
Molecular weight
958.34
Formula
C41H36ClF8N7O5S2
Solubility
DMSO ： 50 mg/mL (52·17 mM; Need ultrasonic)
InChIKey
CPCUUUACFKQOHY-IUAQSZDVSA-N
Catalogue number
GC68449
Brand
GLPBIO
Computed properties PubChem CID 138059678 · XLogP 6.4 · TPSA 175 Ų · H-bond donors 2
XLogP
6.4
TPSA
175 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
16
Heavy atoms
64

SMILES CC(C)(C#CC1=NC(=C(C=C1)C2=C3C(=C(C=C2)Cl)C(=NN3CC(F)F)NS(=O)(=O)C4CC4)[C@@H](CC5=CC(=CC(=C5)F)F)NC(=O)CN6C7=C([C@@H]8C[C@@H]8C7(F)F)C(=N6)C(F)F)S(=O)(=O)C

Computed descriptors from PubChem (CID 138059678), 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.