Products for Research Use Only

SR3335

CAT: 0013-GTR19158402-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158402-01Size:200 mg
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Description
SR 3335 is a selective inverse agonist of RORα competitively inhibiting the binding of 25-hydroxycholesterol to the ligand binding domain (Ki: 220 nM) .
CAS Number
293753-05-6
Product Name Alternative
ML 176
Purity
>98% (HPLC)
Solubility
Ethanol: 30 mg/mL; DMSO: 40 mg/mL
Smiles
OC (c1ccc (NS (=O) (=O) c2cccs2) cc1) (C (F) (F) F) C (F) (F) F
Molecular Formula
C13H9F6NO3S2
Molecular Weight
405.34
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N-[4-[222-trifluoro-1-hydroxy-1- (trifluoromethyl) ethyl]phenyl]-2-thiophenesulfonamide

Chemical Information

SR3335

N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-thiophenesulfonamide is a sulfonamide.

CAS Number293753-05-6
PubChem CID2360837
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
Molecular FormulaC13H9F6NO3S2
Molecular Weight405.3
XLogP3.7
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity550
SMILES
C1=CSC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C13H9F6NO3S2/c14-12(15,16)11(21,13(17,18)19)8-3-5-9(6-4-8)20-25(22,23)10-2-1-7-24-10/h1-7,20-21H
InChIKey
LZWUNZRMANFRAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR3335
CAS: 293753-05-6
CID: 2360837
Formula: C13H9F6NO3S2
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass404.99280447
Monoisotopic Mass404.99280447
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes