DBCO-C3-PEG4-amine

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DBCO-C3-PEG4-amine

DBCO-C3-PEG4-amine

Catalog Number R01-0394
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₃H₄₃N₃O₈
Molecular Weight 609.71
Catalog Number Size Price Quantity
R01-0394 -- $--

Product Introduction

DBCO-C3-PEG4-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C3-PEG4-amine can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]propyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCCOC(=O)CCOCCOCCOCCOCCN
InChI InChI=1S/C33H43N3O8/c34-15-19-41-21-23-43-25-24-42-22-20-40-18-14-33(39)44-17-5-16-35-31(37)12-13-32(38)36-26-29-8-2-1-6-27(29)10-11-28-7-3-4-9-30(28)36/h1-4,6-9H,5,12-26,34H2,(H,35,37)
InChI Key LUQYPCXYQQOMEO-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 0.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 22
Exact Mass 609.30501534 g/mol
Monoisotopic Mass 609.30501534 g/mol
Topological Polar Surface Area 139Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 919
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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