DBCO-C2-PEG4-NH-Boc
Catalog Number | R01-0349 |
Category | Cycloalkyne Dyes (DBCO) |
Molecular Formula | C₃₇H₄₉N₃O₁₀ |
Molecular Weight | 695.80 |
Catalog Number | Size | Price | Quantity |
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R01-0349 | -- | $-- |
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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 |
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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) |
InChI Key | GFZMFDYOEBJGCF-UHFFFAOYSA-N |
Solubility | DMSO, DCM, DMF |
- Product Specification
Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
Computed Properties | |
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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 |
Applications of Fluorescent Probes & Dyes
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