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DBCO-C2-PEG4-amine
| Catalog Number | R01-0395 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₂H₄₁N₃O₈ |
| Molecular Weight | 595.68 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0395 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-C2-PEG4-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C2-PEG4-amine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| 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-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCOC(=O)CCOCCOCCOCCOCCN |
| InChI | InChI=1S/C32H41N3O8/c33-14-17-40-20-22-42-24-23-41-21-19-39-16-13-32(38)43-18-15-34-30(36)11-12-31(37)35-25-28-7-2-1-5-26(28)9-10-27-6-3-4-8-29(27)35/h1-8H,11-25,33H2,(H,34,36) |
| InChIKey | RIRGWQMNOCGPGW-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 21 |
| Exact Mass | 595.28936527 g/mol |
| Monoisotopic Mass | 595.28936527 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 904 |
| 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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