DBCO-PEG13-DBCO

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DBCO-PEG13-DBCO

DBCO-PEG13-DBCO

Catalog Number R01-0371
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₆₆H₈₆N₄O₁₇
Molecular Weight 1207.41
Catalog Number Size Price Quantity
R01-0371 -- $--

Product Introduction

DBCO-PEG13-DBCO is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG13-DBCO can be used in the synthesis of a series of PROTACs.

Chemical Information

Purity 98%
IUPAC Name N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N4CC5=CC=CC=C5C#CC6=CC=CC=C64
InChI InChI=1S/C66H86N4O17/c71-63(67-25-21-65(73)69-53-59-13-3-1-9-55(59)17-19-57-11-5-7-15-61(57)69)23-27-75-29-31-77-33-35-79-37-39-81-41-43-83-45-47-85-49-51-87-52-50-86-48-46-84-44-42-82-40-38-80-36-34-78-32-30-76-28-24-64(72)68-26-22-66(74)70-54-60-14-4-2-10-56(60)18-20-58-12-6-8-16-62(58)70/h1-16H,21-54H2,(H,67,71)(H,68,72)
InChI Key MEABNNXKIUFSMS-UHFFFAOYSA-N
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 48
Exact Mass 1206.59879729 g/mol
Monoisotopic Mass 1206.59879729 g/mol
Topological Polar Surface Area 219Ų
Heavy Atom Count 87
Formal Charge 0
Complexity 1870
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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