TCO-PEG9-maleimide

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TCO-PEG9-maleimide

TCO-PEG9-maleimide | 2183440-37-9

Catelog Number R15-0018
Category TCO
Molecular Formula C₃₆H₆₁N₃O₁₄
Molecular Weight 759.88
Catalog Number Size Price Quantity
R15-0018 -- $--

Product Introduction

TCO-PEG9-maleimide is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG9-maleimide can be used in the synthesis of a series of PROTACs.

Chemical Information

Synonyms (Z)-Cyclooct-4-en-1-yl (33-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacontyl)carbamate; (4Z)-cyclooct-4-en-1-yl N-{29-[3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanamido]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-yl}carbamate; (E)-Cyclooct-4-en-1-yl (33-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-31-oxo-3,6,9,12,15,18,21,24,27-nonaoxa-30-azatritriacontyl)carbamate
Purity 95%
IUPAC Name [(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Canonical SMILES C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O
InChI InChI=1S/C36H61N3O14/c40-33(10-13-39-34(41)8-9-35(39)42)37-11-14-44-16-18-46-20-22-48-24-26-50-28-30-52-31-29-51-27-25-49-23-21-47-19-17-45-15-12-38-36(43)53-32-6-4-2-1-3-5-7-32/h1-2,8-9,32H,3-7,10-31H2,(H,37,40)(H,38,43)/b2-1-
InChI Key TZGDGNPQUCQZSR-UPHRSURJSA-N
Solubility DMSO, DMF, DCM

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 35
Exact Mass 759.41535363 g/mol
Monoisotopic Mass 759.41535363 g/mol
Topological Polar Surface Area 188Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 1010
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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