DBCO-C2-PEG4-amine

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DBCO-C2-PEG4-amine

DBCO-C2-PEG4-amine

Catalog Number R01-0395
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₂H₄₁N₃O₈
Molecular Weight 595.68
Catalog Number Size Price Quantity
R01-0395 -- $--

Product Introduction

DBCO-C2-PEG4-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C2-PEG4-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name 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]ethyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOC(=O)CCOCCOCCOCCOCCN
InChI InChI=1S/C32H41N3O8/c33-14-17-40-20-22-42-24-23-41-21-19-39-16-13-32(38)43-18-15-34-30(36)11-12-31(37)35-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)35/h1-8H,11-25,33H2,(H,34,36)
InChI Key RIRGWQMNOCGPGW-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 21
Exact Mass 595.28936527 g/mol
Monoisotopic Mass 595.28936527 g/mol
Topological Polar Surface Area 139Ų
Heavy Atom Count 43
Formal Charge 0
Complexity 904
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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