1. Primary Information
| English name: | 4SC-202 |
| CAS No.: | 1186222-89-8 |
| Molecular formula: | C30H29N5O6S2 |
| Molecular weight: | 619.7 g/mol |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4N |
| Structural class: | |
| Other identifiers: |
4SC-202 domatinostat |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 2mg | 98% | 496 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 760 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1160 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 2160 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 3680 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 5280 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide;4-methylbenzenesulfonic acid
4.2 InChI
InChI=1S/C23H21N5O3S.C7H8O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H,24H2,1H3,(H,26,29);2-5H,1H3,(H,8,9,10)/b11-6+;
4.3 InChIKey
IAVXAZDVNICKFJ-ICSBZGNSSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4N
4.5 Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4N
