CD38 inhibitor 78c
Bezeichnung:CD38 inhibitor 78c
CAS-Nr1700637-55-3
Englisch Name:CD38 inhibitor 78c
CBNumberCB04667733
SummenformelC22H27N3O3S
Molgewicht413.53
MOL-Datei1700637-55-3.mol
CD38 inhibitor 78c physikalisch-chemischer Eigenschaften
Siedepunkt | 589.8±50.0 °C(Predicted) |
Dichte | 1.27±0.1 g/cm3(Predicted) |
storage temp. | Store at -20°C |
Löslichkeit | DMSO : 25 mg/mL (60.46 mM; ultrasonic and warming and heat to 60°C) |
Aggregatzustand | A solid |
pka | 3.17±0.20(Predicted) |
Farbe | 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 |