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S18-000003

CAT: 0013-GTR19174182-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174182-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S18-000003 is a potent and orally bioavailable RORγt inhibitor with an IC50 of 29 nM. It effectively suppresses IL-17 production, making it a valuable tool for researching Th17-driven pathologies in both cellular and animal models of autoimmune and inflammatory diseases.
CAS Number
2068119-11-7
Product Name Alternative
Inhibitor, inhibit, orphan, acid, aberrations, RAR-related orphan receptor, receptor-related, thymic, psoriasis, retinoic, ROR, RORγt, S18 000003, S18000003, S-18-000003, S18-000003
Field of Research
Metabolism Research
Purity
99.24% (May vary between batches)
Solubility
DMSO:100 mg/mL (192.85 mM)
Smiles
CCS (=O) (=O) c1ccc (CC (=O) Nc2ccc (c (F) c2) C (C) (C) C (=O) Nc2ccc (F) cc2F) cc1
Molecular Formula
C26H25F3N2O4S
Molecular Weight
518.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2,4-difluorophenyl)-2-(4-((2-(4-ethylsulfonylphenyl)acetyl)amino)-2-fluorophenyl)-2-methylpropanamide
CAS Number2068119-11-7
PubChem CID137796283
IUPAC NameN-(2,4-difluorophenyl)-2-[4-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-2-fluorophenyl]-2-methylpropanamide
Molecular FormulaC26H25F3N2O4S
Molecular Weight518.5
XLogP4.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity871
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)C(C)(C)C(=O)NC3=C(C=C(C=C3)F)F)F
InChI
InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)
InChIKey
DZUAIKQCQQBQJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2,4-difluorophenyl)-2-(4-((2-(4-ethylsulfonylphenyl)acetyl)amino)-2-fluorophenyl)-2-methylpropanamide
CAS: 2068119-11-7
CID: 137796283
Formula: C26H25F3N2O4S
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass518.14871294
Monoisotopic Mass518.14871294
Topological Polar Surface Area101 Ų
Heavy Atom Count36
Formal Charge0
Complexity871
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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HY-119366-01S18-000003
A19105-25S18-000003 25mg
A19105-500S18-000003 500mg
A19105-10S18-000003 10mg
A19105-5S18-000003 5mg
A19105-1S18-000003 1mg
A19105-100S18-000003 100mg
A19105-50S18-000003 50mg
A19105-10mM-DS18-000003 10mM * 1mL in DMSO
HY-169210ECDD-S18

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