≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
GDC046 (Compound 3) is a potent, selective, and orally bioavailable inhibitor ofTYK2with Ki of 4.8 nM, 83.8 nM, 27.6 nM and 253 nM for TYK2, JAK1, JAK2, and JAK3, respectively.
Targets
TYK2 (Cell-free assay); JAK2 (Cell-free assay); JAK1 (Cell-free assay); JAK3 (Cell-free assay) 4.8 nM(Ki); 27.6 nM(Ki); 83.8 nM(Ki); 253 nM(Ki)
| Canonical Smiles | C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl |
|---|---|
| IUPAC Name | 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)pyridin-4-yl]benzamide |
| InChIKey | IAFNAEGXTKTGHN-UHFFFAOYSA-N |
| INCHI | 1S/C16H13Cl2N3O2/c17-11-2-1-3-12(18)14(11)16(23)20-10-6-7-19-13(8-10)21-15(22)9-4-5-9/h1-3,6-9H,4-5H2,(H2,19,20,21,22,23) |
| Isomeric SMILES | C1CC1C(=O)NC2=NC=CC(=C2)NC(=O)C3=C(C=CC=C3Cl)Cl |
| Molecular Weight | 350.2 |
| Reaxy-Rn | 20998038 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20998038&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Halobenzoic acids and derivatives |
| Direct Parent | 2-halobenzoic acids and derivatives |
| Alternative Parents | Benzamides N-arylamides Dichlorobenzenes Benzoyl derivatives Pyridines and derivatives Aryl chlorides Imidolactams Cyclopropanecarboxylic acids and derivatives Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - N-arylamide - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidolactam - Pyridine - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2507047 | Certificate of Analysis | Jun 25, 2025 | G412348 |
| G2304559 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| G2304678 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| G2304679 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| G2304680 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| G2304681 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| G2304684 | Certificate of Analysis | Apr 07, 2025 | G412348 |
| Solubility | Solubility (25°C) In vitro DMSO: 70 mg/mL (199.88 mM); Ethanol: 35 mg/mL (99.94 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 350.200 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 349.038 Da |
| Monoisotopic Mass | 349.038 Da |
| Topological Polar Surface Area | 71.100 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 449.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
