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Chemical structure of DBCO-PEG4-NHS ester

GC60123

DBCO-PEG4-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

DBCO-PEG4-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS1427004-19-0MW649.69FormulaC34H39N3O10
CAS number
1427004-19-0
Molecular weight
649.69
Formula
C34H39N3O10
InChIKey
RRCXYKNJTKJNTD-UHFFFAOYSA-N
Catalogue number
GC60123
Brand
GLPBIO
Computed properties PubChem CID 77078155 · XLogP 0.4 · TPSA 150 Ų · H-bond donors 1
XLogP
0.4
TPSA
150 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
20
Heavy atoms
47

SMILES C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42

Computed descriptors from PubChem (CID 77078155), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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