≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
CLP290 is a small molecule enhancer of KCC2 activity. It is an orally active and more bioavailable precursor of the selective K+-Cl- cotransporter KCC2 activator CLP257. CLP290 was recently shown to restore Cl- transport and rescue morphine-induced hyperalgesia (MIH) in morphine-treated rats
| Pubchem Sid | 504770305 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770305 |
| Canonical Smiles | C1CCN(NC1)C2=NC(=O)C(=CC3=C(C=C(C=C3)F)OC(=O)N4CCCC4)S2 |
| IUPAC Name | [2-[(Z)-[2-(diazinan-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]-5-fluorophenyl] pyrrolidine-1-carboxylate |
| InChIKey | DIXMMXNNKLCLOM-WJDWOHSUSA-N |
| INCHI | 1S/C19H21FN4O3S/c20-14-6-5-13(15(12-14)27-19(26)23-8-3-4-9-23)11-16-17(25)22-18(28-16)24-10-2-1-7-21-24/h5-6,11-12,21H,1-4,7-10H2/b16-11- |
| Isomeric SMILES | C1CCN(NC1)C2=NC(=O)/C(=C/C3=C(C=C(C=C3)F)OC(=O)N4CCCC4)/S2 |
| Molecular Weight | 404.46 |
| Reaxy-Rn | 45108760 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45108760&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 | Pyrrolidines |
| Subclass | Pyrrolidine carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrrolidine carboxylic acids |
| Alternative Parents | Phenoxy compounds Fluorobenzenes Diazinanes Aryl fluorides Thiazolines Carbamate esters Tertiary amines N-acylimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Pyrrolidine carboxylic acid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,2-diazinane - Benzenoid - Carbamic acid ester - Meta-thiazoline - Amino acid or derivatives - N-acylimine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 20.22, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 2.02, Max Conc. mM: 5 |
|---|---|
| Molecular Weight | 404.500 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 404.132 Da |
| Monoisotopic Mass | 404.132 Da |
| Topological Polar Surface Area | 99.500 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 680.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
L2220197