2D Structure
loading...
2D chemical structural formula diagram.
3D Structure
loading...
This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
BI-78D3
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-1,2,4-triazol-5-one | |
|---|---|---|
| CAS Number | 883065-90-5 | |
| Molecular Formula |
C13H9N5O5S2 |
|
| Molecular Weight (MW) | 379.37 | |
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-] | |
| InChIKey | QFRLDZGQEZCCJZ-UHFFFAOYSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(263.59 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.