SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C2C4=C(C=CC(=C4)C5=CC=CC=C5F)NC3CO
BRD0539 Chemical Structure
Chemical Structure
Check the BRD0539 product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name [(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
CAS Number 1403838-79-8
Molecular Formula

C25H25FN2O3S
Molecular Weight (MW) 452.54
SMILES CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C2C4=C(C=CC(=C4)C5=CC=CC=C5F)NC3CO
InChIKey CZOIXFMISSBIJL-DCEDVJGZSA-N

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 91 mg/mL (201.08 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Ethanol 31 mg/mL
Water Insoluble
FAQ
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).

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Note: Technical data last updated: Sep 1, 2026.