DBCO-PEG2-NH-Boc

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DBCO-PEG2-NH-Boc

DBCO-PEG2-NH-Boc | 2377004-08-3

Catalog Number R01-0356
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₀H₃₇N₃O₆
Molecular Weight 535.63
Catalog Number Size Price Quantity
R01-0356 -- $--

Product Introduction

DBCO-PEG2-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-PEG2-NH-Boc can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms tert-butyl N-(2-{2-[2-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)ethoxy]ethoxy}ethyl)carbamate
Purity 98%
IUPAC Name tert-butyl N-[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]ethyl]carbamate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C30H37N3O6/c1-30(2,3)39-29(36)32-17-19-38-21-20-37-18-16-31-27(34)14-15-28(35)33-22-25-10-5-4-8-23(25)12-13-24-9-6-7-11-26(24)33/h4-11H,14-22H2,1-3H3,(H,31,34)(H,32,36)
InChI Key GYLXPPCIPNVSKS-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 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 14
Exact Mass 535.26823591 g/mol
Monoisotopic Mass 535.26823591 g/mol
Topological Polar Surface Area 106Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 873
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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