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
SS-3091
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | N-[3-[2-[(3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-8-methylquinazolin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide | |
|---|---|---|
| CAS Number | 2756257-56-2 | |
| Molecular Formula |
C36H34F3N5O |
|
| Molecular Weight (MW) | 609.68 | |
| SMILES | O=C(C1=CC=CC(C(F)(F)F)=C1)NC2=CC=C(C)C(C3=CC4=C(C(C)=C3)N=C(NC5=CC=C6C(C(CN(CC6)C)C)=C5)N=C4)=C2 | |
| InChIKey | IFFNKLNLKZXFFI-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
(164.02 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 25 mg/mL |
| Water | 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.