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SR2211

CAT: 1410-M33503-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33503-01Size:5 mg
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Description
SR2211 is a specific modulator and an inverse agonist of RORγ (IC50 = 320 nM, Ki = 105 nM) .
CAS Number
1359164-11-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
527.48
Molecular Formula
C26H24F7N3O
Notes
Research use only, not for human use.
Receptor
ROR

Chemical Information

SR2211
CAS Number1359164-11-6
PubChem CID51035449
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[3-fluoro-4-[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
Molecular FormulaC26H24F7N3O
Molecular Weight527.5
XLogP4.9
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity698
SMILES
C1CN(CCN1CC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F)CC4=CC=NC=C4
InChI
InChI=1S/C26H24F7N3O/c27-23-15-21(24(37,25(28,29)30)26(31,32)33)5-6-22(23)20-3-1-18(2-4-20)16-35-11-13-36(14-12-35)17-19-7-9-34-10-8-19/h1-10,15,37H,11-14,16-17H2
InChIKey
KVHKWAZUPPBMLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR2211
CAS: 1359164-11-6
CID: 51035449
Formula: C26H24F7N3O
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass527.18075953
Monoisotopic Mass527.18075953
Topological Polar Surface Area39.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity698
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

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