2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
SX-682
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
Chemical Information
| IUPAC Name | [2-[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid | |
|---|---|---|
| CAS Number | 1648843-04-2 | |
| Molecular Formula |
C19H14BF4N3O4S |
|
| Molecular Weight (MW) | 467.20 | |
| SMILES | B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=N2)C(=O)NC3=CC=C(C=C3)F)(O)O | |
| InChIKey | SDUDZBCEHIZMFZ-UHFFFAOYSA-N |
How to Prepare Stock Solution?
|
Concentration
Volume
Mass
|
|---|
Solubility
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
93 mg/mL
(199.05 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 93 mg/mL |
| Water | ˂1 mg/mL |
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).
Pre-aliquoted for Longevity: Solid-state aliquots offer longer shelf life compared to stock solutions.
Looking for a specific aliquot size? Contact your local sales representative or orders@selleckchem.com.
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Note: Technical data last updated: Sep 1, 2026.