1428327-31-4

Name N-((4-(4-phenylpiperazin-1-yl)tetrahydro-2H-pyran-4-yl)methyl)-2-(phenylthio)nicotinamide
CAS 1428327-31-4
Molecular Formula C28H32N4O2S
MDL Number MFCD28334214
Molecular Weight 488.64
MOL File 1428327-31-4.mol
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Chemical Properties

storage temp.  2-8°C
solubility  DMF:30.0(Max Conc. mg/mL);61.39(Max Conc. mM)
DMSO:59.62(Max Conc. mg/mL);122.01(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:3):0.25(Max Conc. mg/mL);0.51(Max Conc. mM)
Ethanol:12.5(Max Conc. mg/mL);25.58(Max Conc. mM)
form  powder
color  white to beige
InChI 1S/C28H32N4O2S/c33-26(25-12-7-15-29-27(25)35-24-10-5-2-6-11-24)30-22-28(13-20-34-21-14-28)32-18-16-31(17-19-32)23-8-3-1-4-9-23/h1-12,15H,13-14,16-22H2,(H,30,33)
InChIKey XREFXUCWSYMIOG-UHFFFAOYSA-N
SMILES O=C(NCC1(CCOCC1)N2CCN(C3=CC=CC=C3)CC2)C4=CC=CN=C4SC5=CC=CC=C5

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

Spectrum Detail

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