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Chemical structure of DBCO-PEG8-NHS ester

GC39606

DBCO-PEG8-NHS ester

Also known as (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

DBCO-PEG8-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs

ChemicalCAS2553412-88-5MW825.9FormulaC42H55N3O14
CAS number
2553412-88-5
Molecular weight
825.9
Formula
C42H55N3O14
Solubility
Soluble in DMSO
InChIKey
OALUNVCTIRHONS-UHFFFAOYSA-N
Catalogue number
GC39606
Brand
GLPBIO
Computed properties PubChem CID 134159736 · XLogP -0.2 · TPSA 187 Ų · H-bond donors 1
XLogP
-0.2
TPSA
187 Ų
H-bond donors
1
H-bond acceptors
14
Rotatable bonds
32
Heavy atoms
59

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

Computed descriptors from PubChem (CID 134159736), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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