| CAS Number | 2098488-36-7 |
| Catalog Number | AG01ENI4(AGN-PC-3H45M7) |
| Chemical Name | N-(4-Azidobutyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetamide |
| IUPAC Name | N-(4-azidobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide |
| InChI | InChI=1S/C19H20N6O6/c20-24-22-9-2-1-8-21-15(27)10-31-13-5-3-4-11-16(13)19(30)25(18(11)29)12-6-7-14(26)23-17(12)28/h3-5,12H,1-2,6-10H2,(H,21,27)(H,23,26,28) |
| InChI Key | USWFAZSQVLTHHA-UHFFFAOYSA-N |
| MDL Number | MFCD31560486 |
| Molecular Formula | C19H20N6O6 |
| Molecular Weight | 428.3987 |
| SMILES | [N-]=[N+]=NCCCCNC(=O)COC1=CC=CC=2C(=O)N(C(=O)C12)C3C(=O)NC(=O)CC3 |
| Synonyms | E3 ligase Ligand-Linker Conjugates 18,
E3 Ligand-Linker Conjugate 1,
2098488-36-7,
N-(4-Azidobutyl)-2-[[2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl]oxy]acetamide,
Azido-Thalidomide,
AKOS034834074,
CS-7757,
HY-103615,
|
| Complexity | 810 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 428.144g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 428.405g/mol |
| Monoisotopic Mass | 428.144g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 136A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number