DBCO-C2-PEG4-NH-Boc

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DBCO-C2-PEG4-NH-Boc

DBCO-C2-PEG4-NH-Boc

Catalog Number R01-0349
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₇H₄₉N₃O₁₀
Molecular Weight 695.80
Catalog Number Size Price Quantity
R01-0349 -- $--

Product Introduction

DBCO-C2-PEG4-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C2-PEG4-NH-Boc 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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI InChI=1S/C37H49N3O10/c1-37(2,3)50-36(44)39-17-20-46-23-25-48-27-26-47-24-22-45-19-16-35(43)49-21-18-38-33(41)14-15-34(42)40-28-31-10-5-4-8-29(31)12-13-30-9-6-7-11-32(30)40/h4-11H,14-28H2,1-3H3,(H,38,41)(H,39,44)
InChI Key GFZMFDYOEBJGCF-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
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 24
Exact Mass 695.34179477 g/mol
Monoisotopic Mass 695.34179477 g/mol
Topological Polar Surface Area 151Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1110
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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