Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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≥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
NS1652 is a reversible anion conductance inhibitor that blocks chloride channel with IC50 of 1.6 μM in human and mouse red blood cells.
| Canonical Smiles | C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid |
| InChIKey | CTNQAPPDQTYTHM-UHFFFAOYSA-N |
| INCHI | 1S/C15H11F3N2O3/c16-15(17,18)9-4-3-5-10(8-9)19-14(23)20-12-7-2-1-6-11(12)13(21)22/h1-8H,(H,21,22)(H2,19,20,23) |
| Isomeric SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F |
| Molecular Weight | 324.25 |
| Reaxy-Rn | 8341897 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8341897&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 | N-phenylureas |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-phenylureas |
| Alternative Parents | Trifluoromethylbenzenes Benzoic acids Benzoyl derivatives Vinylogous amides Ureas Carboxylic acids Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Trifluoromethylbenzene - N-phenylurea - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Vinylogous amide - Urea - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 | |
| Certificate of Analysis | Jan 04, 2024 | N412826 |
| Molecular Weight | 324.250 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.072 Da |
| Monoisotopic Mass | 324.072 Da |
| Topological Polar Surface Area | 78.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 442.000 |
| 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 |