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FM26

CAT: 0931-T11308-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T11308-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2407981-35-3
Target
ROR
Related Pathways
Metabolism
Bioactivity
FM26 has a distinct isoxazole chemotype and effectively reduces IL-17a mRNA production in EL4 cells. FM26 is a potent and allosteric retinoic acid receptor-related orphan receptor γt (RORγt) inverse agonists with an IC50 of 264 nM.
Smiles
C(NC1=CC=C(C(O)=O)C=C1)C=2C(=NOC2C=3C=CNC3)C4=C(C(F)(F)F)C=CC=C4Cl
Molecular Formula
C22H15ClF3N3O3
Molecular Weight
461.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-(1H-pyrrol-3-yl)-1,2-oxazol-4-yl]methylamino]benzoic acid
CAS Number2407981-35-3
PubChem CID145714275
IUPAC Name4-[[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-(1H-pyrrol-3-yl)-1,2-oxazol-4-yl]methylamino]benzoic acid
Molecular FormulaC22H15ClF3N3O3
Molecular Weight461.8
XLogP5
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity648
SMILES
C1=CC(=C(C(=C1)Cl)C2=NOC(=C2CNC3=CC=C(C=C3)C(=O)O)C4=CNC=C4)C(F)(F)F
InChI
InChI=1S/C22H15ClF3N3O3/c23-17-3-1-2-16(22(24,25)26)18(17)19-15(20(32-29-19)13-8-9-27-10-13)11-28-14-6-4-12(5-7-14)21(30)31/h1-10,27-28H,11H2,(H,30,31)
InChIKey
KGEONJPJJNFHOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[3-[2-chloro-6-(trifluoromethyl)phenyl]-5-(1H-pyrrol-3-yl)-1,2-oxazol-4-yl]methylamino]benzoic acid
CAS: 2407981-35-3
CID: 145714275
Formula: C22H15ClF3N3O3
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass461.0754035
Monoisotopic Mass461.0754035
Topological Polar Surface Area91.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity648
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

Alternative Products

CatalogName
HY-133128FM26

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