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Chemical structure of N-methyl-N'-(propargyl-PEG4)-Cy5

GC67248

N-methyl-N'-(propargyl-PEG4)-Cy5

Also known as (2Z)-3,3-dimethyl-1-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]-2-[(2E,4E)-5-(1,3,3-trimethylindol-1-ium-2-yl)penta-2,4-dienylidene]indole chloride

N-methyl-N'-(propargyl-PEG4)-Cy5 (chloride) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2107273-04-9MW619.23FormulaC37H47ClN2O4
CAS number
2107273-04-9
Molecular weight
619.23
Formula
C37H47ClN2O4
InChIKey
UMLSHKASMKAELZ-UHFFFAOYSA-M
Catalogue number
GC67248
Brand
GLPBIO
Computed properties PubChem CID 154705049 · TPSA 43.2 Ų · H-bond donors 0 · H-bond acceptors 6
TPSA
43.2 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
16
Heavy atoms
44

SMILES CC1(C2=CC=CC=C2[N+](=C1/C=C/C=C/C=C\3/C(C4=CC=CC=C4N3CCOCCOCCOCCOCC#C)(C)C)C)C.[Cl-]

Computed descriptors from PubChem (CID 154705049), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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