SMILES:
CC\1=C(C#N)C(=O)NC(=O)C1=C\C2=CC=C(O2)C3=CC=CC=C3
Chemical Structure
Check the
ZINC05007751
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (5Z)-4-methyl-2,6-dioxo-5-[(5-phenylfuran-2-yl)methylidene]pyridine-3-carbonitrile | |
|---|---|---|
| CAS Number | 591239-68-8 | |
| Molecular Formula |
C18H12N2O3 |
|
| Molecular Weight (MW) | 304.3 | |
| SMILES | CC\1=C(C#N)C(=O)NC(=O)C1=C\C2=CC=C(O2)C3=CC=CC=C3 | |
| InChIKey | SNLNUUWCOAPJED-ZROIWOOFSA-N |
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
9 mg/mL
(29.57 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
| DMSO |
61 mg/mL
(200.46 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.