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DBCO-C3-PEG4-amine
| Catalog Number | R01-0394 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₃H₄₃N₃O₈ |
| Molecular Weight | 609.71 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R01-0394 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-C3-PEG4-amine is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C3-PEG4-amine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Purity | 98% |
| IUPAC Name | 3-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]propyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCC(=O)NCCCOC(=O)CCOCCOCCOCCOCCN |
| InChI | InChI=1S/C33H43N3O8/c34-15-19-41-21-23-43-25-24-42-22-20-40-18-14-33(39)44-17-5-16-35-31(37)12-13-32(38)36-26-29-8-2-1-6-27(29)10-11-28-7-3-4-9-30(28)36/h1-4,6-9H,5,12-26,34H2,(H,35,37) |
| InChIKey | LUQYPCXYQQOMEO-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 22 |
| Exact Mass | 609.30501534 g/mol |
| Monoisotopic Mass | 609.30501534 g/mol |
| Topological Polar Surface Area | 139Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 919 |
| 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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