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DBCO-C2-PEG4-NH-Boc
| Catalog Number | R01-0349 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C₃₇H₄₉N₃O₁₀ |
| Molecular Weight | 695.80 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
DBCO-C2-PEG4-NH-Boc is a polyethylene glycol (PEG)-based PROTAC linker. DBCO-C2-PEG4-NH-Boc 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-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)OCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31 |
| InChI | InChI=1S/C37H49N3O10/c1-37(2,3)50-36(44)39-17-20-46-23-25-48-27-26-47-24-22-45-19-16-35(43)49-21-18-38-33(41)14-15-34(42)40-28-31-10-5-4-8-29(31)12-13-30-9-6-7-11-32(30)40/h4-11H,14-28H2,1-3H3,(H,38,41)(H,39,44) |
| InChIKey | GFZMFDYOEBJGCF-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 24 |
| Exact Mass | 695.34179477 g/mol |
| Monoisotopic Mass | 695.34179477 g/mol |
| Topological Polar Surface Area | 151Ų |
| Heavy Atom Count | 50 |
| Formal Charge | 0 |
| Complexity | 1110 |
| 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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