DBCO-PEG4-triethoxysilane

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DBCO-PEG4-triethoxysilane

DBCO-PEG4-triethoxysilane | 2353410-02-1

Catalog Number R01-0347
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C₃₉H₅₇N₃O₁₀Si
Molecular Weight 755.97
Catalog Number Size Price Quantity
R01-0347 -- $--

Product Introduction

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

Chemical Information

Synonyms 1-(4-{2-azatricyclo[10.4.0.0,hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl}-4-oxobutanamido)-N-[3-(triethoxysilyl)propyl]-3,6,9,12-tetraoxapentadecan-15-amide
Purity 98%
IUPAC Name 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxo-N-[2-[2-[2-[2-[3-oxo-3-(3-triethoxysilylpropylamino)propoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
Canonical SMILES CCO[Si](CCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31)(OCC)OCC
InChI InChI=1S/C39H57N3O10Si/c1-4-50-53(51-5-2,52-6-3)31-11-21-40-38(44)20-23-46-25-27-48-29-30-49-28-26-47-24-22-41-37(43)18-19-39(45)42-32-35-14-8-7-12-33(35)16-17-34-13-9-10-15-36(34)42/h7-10,12-15H,4-6,11,18-32H2,1-3H3,(H,40,44)(H,41,43)
InChI Key BVPATRYMIHMPFW-UHFFFAOYSA-N
Solubility DMSO, DCM, DMF
  • Product Specification
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 28
Exact Mass 755.38132156 g/mol
Monoisotopic Mass 755.38132156 g/mol
Topological Polar Surface Area 143Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1100
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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