≥98% 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
RO2959 hydrochloride is a potent and selective inhibitor of CRAC channel with IC50 of 402 nM. RO2959 hydrochloride is also a potent inhibitor of human IL-2.
| Canonical Smiles | CC1=C(CN(CC1)C2=NC=C(S2)C)C3=CN=C(C=N3)NC(=O)C4=C(C=CC=C4F)F.Cl |
|---|---|
| IUPAC Name | 2,6-difluoro-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;hydrochloride |
| InChIKey | GMLSDODALBRLPE-UHFFFAOYSA-N |
| INCHI | 1S/C21H19F2N5OS.ClH/c1-12-6-7-28(21-26-8-13(2)30-21)11-14(12)17-9-25-18(10-24-17)27-20(29)19-15(22)4-3-5-16(19)23;/h3-5,8-10H,6-7,11H2,1-2H3,(H,25,27,29);1H |
| Isomeric SMILES | CC1=C(CN(CC1)C2=NC=C(S2)C)C3=CN=C(C=N3)NC(=O)C4=C(C=CC=C4F)F.Cl |
| Alternate CAS | 2309172-44-7 |
| PubChem CID | 45274292 |
| Molecular Weight | 463.93 |
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 Dialkylarylamines Benzoyl derivatives 2,5-disubstituted thiazoles Fluorobenzenes Pyrazines 2-amino-1,3-thiazoles Imidolactams Hydropyridines Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halobenzoic acid or derivatives - Benzamide - Dialkylarylamine - Benzoyl - 2,5-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Hydropyridine - Aryl fluoride - Aryl halide - 1,3-thiazol-2-amine - Pyrazine - Imidolactam - Heteroaromatic compound - Azole - Vinylogous halide - Thiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2401201 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401202 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401203 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401204 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401205 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401206 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401207 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| H2401208 | Certificate of Analysis | Apr 25, 2024 | R412934 |
| Molecular Weight | 463.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 463.105 Da |
| Monoisotopic Mass | 463.105 Da |
| Topological Polar Surface Area | 99.300 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 655.000 |
| 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 | 2 |
