≥99% 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.
DS44960156 is a selective Methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) inhibitor, with IC 50 values of 1.6 μM and >30 μM for MTHFD2 and MTHFD1, respectively
Form:Solid
IC50& Target:IC50: 1.6 μM (MTHFD2), >30 μM (MTHFD1)
| Canonical Smiles | C1CN(CC2=C1C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)C(=O)O |
|---|---|
| IUPAC Name | 4-(5-oxo-2,4-dihydro-1H-chromeno[3,4-c]pyridine-3-carbonyl)benzoic acid |
| InChIKey | OXUKTNZACAKVRG-UHFFFAOYSA-N |
| INCHI | 1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24) |
| Isomeric SMILES | C1CN(CC2=C1C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)C(=O)O |
| PubChem CID | 138393352 |
| Molecular Weight | 349.34 |
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 | Chromenopyridines |
| Alternative Parents | Coumarins and derivatives Benzoic acids Benzamides Benzoyl derivatives Pyranones and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromenopyridine - Coumarin - Benzoic acid - Benzoic acid or derivatives - Benzamide - Benzoyl - Pyranone - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as chromenopyridines. These are aromatic heterocyclic compounds structurally characterized by a pyridine ring fused to a chromene moiety. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 349.300 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 349.095 Da |
| Monoisotopic Mass | 349.095 Da |
| Topological Polar Surface Area | 83.900 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 647.000 |
| 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 |
