Products for Research Use Only

DBCO-PEG4-NHS ester

CAT: 0013-GTR19175395-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19175395-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DBCO-PEG4-NHS ester is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation. Its application facilitates the study of protein function and disease mechanisms in both cellular and animal models, supporting research in oncology and chemical biology.
CAS Number
1427004-19-0
Product Name Alternative
PROTAC Linker, PROTAC Linkers, PROTACLinker, PEGs, Inhibitor, inhibit, DBCO PEG4 NHS ester, DBCO-PEG4-NHS ester, DBCO-PEG-4-NHS ester, DBCOPEG4NHS ester
Field of Research
Pharmacology & Drug Discovery
Purity
87.88% (May vary between batches)
Solubility
DMSO:79 mg/mL (121.6 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.08 mM)
Smiles
O=C (CCC (=O) N1Cc2ccccc2C#Cc2ccccc12) NCCOCCOCCOCCOCCC (=O) ON1C (=O) CCC1=O
Molecular Formula
C34H39N3O10
Molecular Weight
649.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG4-NHS ester
CAS Number1427004-19-0
PubChem CID77078155
IUPAC Name(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
Molecular FormulaC34H39N3O10
Molecular Weight649.7
XLogP0.4
Topological Polar Surface Area150
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Heavy Atom Count47
Formal Charge0
Complexity1120
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C34H39N3O10/c38-30(11-12-31(39)36-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)36)35-16-18-44-20-22-46-24-23-45-21-19-43-17-15-34(42)47-37-32(40)13-14-33(37)41/h1-8H,11-25H2,(H,35,38)
InChIKey
RRCXYKNJTKJNTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-NHS ester
CAS: 1427004-19-0
CID: 77078155
Formula: C34H39N3O10
MW: 649.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight649.7
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count20
Exact Mass649.26354445
Monoisotopic Mass649.26354445
Topological Polar Surface Area150 Ų
Heavy Atom Count47
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes