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.
| Canonical Smiles | CN(C)CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3C4=C(C(=CC=C4)OC)N=C3C(F)F)N5CCOCC5 |
|---|---|
| IUPAC Name | 2-[4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]sulfonyl-N,N-dimethylethanamine |
| InChIKey | MKRQBWZUYRPLDM-UHFFFAOYSA-N |
| INCHI | 1S/C24H33F2N9O4S/c1-31(2)13-16-40(36,37)34-9-7-32(8-10-34)22-28-23(33-11-14-39-15-12-33)30-24(29-22)35-17-5-4-6-18(38-3)19(17)27-21(35)20(25)26/h4-6,20H,7-16H2,1-3H3 |
| Molecular Weight | 581.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-arylpiperazines |
| Alternative Parents | Benzimidazoles 1,3,5-triazine-2,4-diamines Dialkylarylamines Anisoles Alkyl aryl ethers Organosulfonamides Organic sulfonamides 1,3,5-triazines N-substituted imidazoles Morpholines Sulfonyls Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Benzimidazole - 2,4-diamine-s-triazine - Anisole - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Morpholine - N-substituted imidazole - Oxazinane - Organic sulfonic acid amide - Organosulfonic acid amide - Triazine - Benzenoid - 1,3,5-triazine - Sulfonyl - Azole - Heteroaromatic compound - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Alkyl halide - Organofluoride - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group. |
| External Descriptors | Not available |
| Molecular Weight | 581.600 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 9 |
| Exact Mass | 581.234 Da |
| Monoisotopic Mass | 581.234 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 919.000 |
| 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 |
![N-[2-({4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl}sulfonyl)ethyl]-N,N-dimethylamine - CAS No(1246202-11-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/1/N1227106.jpg)