Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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.
XL147 is a selective and reversible class I PI3K inhibitor for PI3Kα/δ/γ with IC50 of 39 nM/36 nM/23 nM, less potent to PI3Kβ.
An ATP-competetive class I PI3K inhibitor.
| Pubchem Sid | 504760649 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760649 |
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4 |
| IUPAC Name | N-[3-(2,1,3-benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide |
| InChIKey | MQMKRQLTIWPEDM-UHFFFAOYSA-N |
| INCHI | 1S/C21H16N6O2S2/c1-13-6-9-15(10-7-13)31(28,29)27-21-20(23-16-4-2-3-5-17(16)24-21)22-14-8-11-18-19(12-14)26-30-25-18/h2-12H,1H3,(H,22,23)(H,24,27) |
| Isómeros SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4 |
| PubChem CID | 1893730 |
| Peso molecular | 448.52 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds |
| Direct Parent | P-toluenesulfonamides |
| Alternative Parents | Quinoxalines Benzenesulfonamides Benzothiadiazoles Benzenesulfonyl compounds Aminopyrazines Organosulfonamides Imidolactams Thiadiazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | P-toluenesulfonamide - Diazanaphthalene - Quinoxaline - Benzenesulfonamide - 2,1,3-benzothiadiazole - Benzenesulfonyl group - Aminopyrazine - Pyrazine - Organosulfonic acid amide - Imidolactam - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiadiazole - Sulfonyl - Heteroaromatic compound - Secondary amine - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group. |
| External Descriptors | sulfonamide - quinoxaline derivative - aromatic amine - benzothiadiazole |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 11, 2026 | X129499 | |
| Certificate of Analysis | Mar 11, 2026 | X129499 | |
| Certificate of Analysis | Mar 11, 2026 | X129499 | |
| Certificate of Analysis | Mar 11, 2026 | X129499 |
| Solubilidad | ≥22.45 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH |
|---|---|
| Peso molecular | 448.500 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 448.078 Da |
| Monoisotopic Mass | 448.078 Da |
| Topological Polar Surface Area | 146.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 711.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →