10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
altering the lifespan of a eukaryotic organism; PI3K inhibitor; antimicrobial activities;
| ALogP | 2.216 |
|---|---|
| HBD Count | 2 |
| Rotatable Bond | 1 |
| Canonical Smiles | C1CCC(C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O |
|---|---|
| IUPAC Name | 3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid |
| InChIKey | SZDGAPWYJPRMQH-UHFFFAOYSA-N |
| INCHI | 1S/C14H17NO4/c16-12-11-10(13(17)18)9-5-6-14(11,19-9)7-15(12)8-3-1-2-4-8/h5-6,8-11H,1-4,7H2,(H,17,18) |
| Isomeric SMILES | C1CCC(C1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O |
| PubChem CID | 2772052 |
| Molecular Weight | 268.26738 |
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 | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Furopyrroles Pyrrolidine-2-ones N-alkylpyrrolidines Tetrahydrofurans Tertiary carboxylic acid amides Pyrroles Dihydrofurans Furans Lactams Azacyclic compounds Carboxylic acids Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Isoindolone - Furopyrrole - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Dihydrofuran - Furan - Pyrrole - Tetrahydrofuran - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 263.290 g/mol |
| XLogP3 | 0.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 263.116 Da |
| Monoisotopic Mass | 263.116 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
