≥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
JCP174 is a depalmitoylase inhibitor that enhances Toxoplasma host-cell invasion by targeting TgPPT1.
| Canonical Smiles | CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl |
|---|---|
| IUPAC Name | 7-amino-4-chloro-3-propoxyisochromen-1-one |
| InChIKey | MDOWUFTZOHGGHU-UHFFFAOYSA-N |
| INCHI | 1S/C12H12ClNO3/c1-2-5-16-12-10(13)8-4-3-7(14)6-9(8)11(15)17-12/h3-4,6H,2,5,14H2,1H3 |
| Isomeric SMILES | CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl |
| Molecular Weight | 253.68 |
| Reaxy-Rn | 7208782 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7208782&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 | Phenylpropanoids and polyketides |
| Class | Isocoumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocoumarins and derivatives |
| Alternative Parents | 2-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isocoumarin - Benzopyran - 2-benzopyran - Alkyl aryl ether - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2419304 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419305 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419306 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419307 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419308 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419309 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419310 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419350 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| C2419352 | Certificate of Analysis | Feb 01, 2024 | J412955 |
| Molecular Weight | 253.680 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.051 Da |
| Monoisotopic Mass | 253.051 Da |
| Topological Polar Surface Area | 61.600 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |
