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1700637-55-3
bosschem
1700637-55-3
| CD38 inhibitor 78c Basic information | |
| Product Name: | CD38 inhibitor 78c |
| CAS: | 1700637-55-3 |
| MF: | C22H27N3O3S |
| MW: | 413.53 |
| EINECS: | |
| Mol File: | 1700637-55-3.mol |
| CD38 inhibitor 78c Chemical Properties | |
| Boiling point | 589.8±50.0 °C(Predicted) |
| density | 1.27±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : 25 mg/mL (60.46 mM; ultrasonic and warming and heat to 60°C) |
| form | A solid |
| pka | 3.17±0.20(Predicted) |
| color | Light yellow to brown |
| InChI | InChI=1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17- |
| InChIKey | VJQALSOBHVEJQM-QAQDUYKDSA-N |
| SMILES | N1(C)C2=C(C=C(C3SC=NC=3)C=C2)C(N[C@@H]2CC[C@@H](OCCOC)CC2)=CC1=O |
Item | Specification | Results |
Identification | NMR,HPLC | Conform |
Appearance | White powder | Conform |
Purity | >98% | Conform |
| CD38 inhibitor 78c Basic information | |
| Product Name: | CD38 inhibitor 78c |
| CAS: | 1700637-55-3 |
| MF: | C22H27N3O3S |
| MW: | 413.53 |
| EINECS: | |
| Mol File: | 1700637-55-3.mol |
| CD38 inhibitor 78c Chemical Properties | |
| Boiling point | 589.8±50.0 °C(Predicted) |
| density | 1.27±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : 25 mg/mL (60.46 mM; ultrasonic and warming and heat to 60°C) |
| form | A solid |
| pka | 3.17±0.20(Predicted) |
| color | Light yellow to brown |
| InChI | InChI=1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17- |
| InChIKey | VJQALSOBHVEJQM-QAQDUYKDSA-N |
| SMILES | N1(C)C2=C(C=C(C3SC=NC=3)C=C2)C(N[C@@H]2CC[C@@H](OCCOC)CC2)=CC1=O |
Item | Specification | Results |
Identification | NMR,HPLC | Conform |
Appearance | White powder | Conform |
Purity | >98% | Conform |
