| CAS Number | 1428729-63-8 |
| Catalog Number | AG01EORB(AGN-PC-3H46I4) |
| Chemical Name | RIG-1 modulator 1 |
| IUPAC Name | 1-[2-(dimethylamino)ethyl]-3-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)urea |
| InChI | InChI=1S/C14H17N5OS2/c1-8-16-11-10(21-8)5-4-9-12(11)22-14(17-9)18-13(20)15-6-7-19(2)3/h4-5H,6-7H2,1-3H3,(H2,15,17,18,20) |
| InChI Key | HORUPPJGOWQYBQ-UHFFFAOYSA-N |
| MDL Number | MFCD31619259 |
| Molecular Formula | C14H17N5OS2 |
| Molecular Weight | 335.4477 |
| SMILES | O=C(NC1=NC=2C=CC=3SC(=NC3C2S1)C)NCCN(C)C |
| Synonyms | RIG-1 modulator 1,
1428729-63-8,
SCHEMBL14847476,
CS-8144,
HY-107902,
|
| Complexity | 411 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.444g/mol |
| Monoisotopic Mass | 335.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number