≥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
MCHr1 antagonist 2 is a melanin concentrating hormone receptor 1 antagonist with IC50 of 65 nM. MCHr1 antagonist 2 also inhibits hERG with IC50 of 4.0 nM in IMR-32 cells.
| Canonical Smiles | C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)CC4=CC5=C(C=C4)OCO5 |
|---|---|
| IUPAC Name | N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-6-fluoro-4-oxochromene-2-carboxamide |
| InChIKey | HHCYCBKPWYJVEB-UHFFFAOYSA-N |
| INCHI | 1S/C23H21FN2O5/c24-15-2-4-19-17(10-15)18(27)11-22(31-19)23(28)25-16-5-7-26(8-6-16)12-14-1-3-20-21(9-14)30-13-29-20/h1-4,9-11,16H,5-8,12-13H2,(H,25,28) |
| Isomeric SMILES | C1CN(CCC1NC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)CC4=CC5=C(C=C4)OCO5 |
| Molecular Weight | 424.42 |
| Reaxy-Rn | 10727809 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10727809&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 | Organoheterocyclic compounds |
| Class | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Benzodioxoles 2-heteroaryl carboxamides Pyranones and derivatives Aralkylamines Piperidines Aryl fluorides Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organofluorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Benzodioxole - 2-heteroaryl carboxamide - Pyranone - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| 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 |
|---|---|---|---|
 D2419471 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419473 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419474 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419475 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419476 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419477 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419478 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419479 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419480 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| D2419482 | Certificate of Analysis | Feb 05, 2024 | M412388 |
| Molecular Weight | 424.400 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.143 Da |
| Monoisotopic Mass | 424.143 Da |
| Topological Polar Surface Area | 77.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 723.000 |
| 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 |
