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TCO-PEG8-NHS ester | 2353409-95-5
| Catalog Number | R15-0043 |
| Category | Trans Cyclooctene (TCO) |
| Molecular Formula | C₃₂H₅₄N₂O₁₄ |
| Molecular Weight | 690.78 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R15-0043 | -- | $-- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
TCO-PEG8-NHS ester is a polyethylene glycol (PEG)-based PROTAC linker. TCO-PEG8-NHS ester can be used in the synthesis of a series of PROTACs.
- Chemical Information
- Product Specification
| Synonyms | 2,5-Dioxopyrrolidin-1-yl 1-(cyclooct-4-en-1-yloxy)-1-oxo-5,8,11,14,17,20,23,26-octaoxa-2-azanonacosan-29-oate; 2,5-dioxopyrrolidin-1-yl 1-({[(4Z)-cyclooct-4-en-1-yloxy]carbonyl}amino)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oate |
| Purity | 95% |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(4Z)-cyclooct-4-en-1-yl]oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1CC=CCCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O |
| InChI | InChI=1S/C32H54N2O14/c35-29-8-9-30(36)34(29)48-31(37)10-12-39-14-16-41-18-20-43-22-24-45-26-27-46-25-23-44-21-19-42-17-15-40-13-11-33-32(38)47-28-6-4-2-1-3-5-7-28/h1-2,28H,3-27H2,(H,33,38)/b2-1- |
| InChI Key | QTIJRGCLYYSKEU-UPHRSURJSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 31 |
| Exact Mass | 690.35750440 g/mol |
| Monoisotopic Mass | 690.35750440 g/mol |
| Topological Polar Surface Area | 176Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 890 |
| 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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