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.
inhibitor of proton-pumping NADH-ubiquinone oxidoreductase (NDH-1); inhibitor of proton-pumping NADH-ubiquinone oxidoreductase (NDH-1);
| ALogP | 3.497 |
|---|---|
| Nombre de HBD | 1 |
| Liaison rotative | 5 |
| Pubchem Sid | 528768042 |
|---|---|
| Sourires canoniques | COC1=C(C=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2)OC |
| IUPAC Name | N-[(3,4-dimethoxyphenyl)methyl]naphthalene-2-carboxamide |
| InChIKey | UBQYRPXGIQUWQD-UHFFFAOYSA-N |
| INCHI | 1S/C20H19NO3/c1-23-18-10-7-14(11-19(18)24-2)13-21-20(22)17-9-8-15-5-3-4-6-16(15)12-17/h3-12H,13H2,1-2H3,(H,21,22) |
| Isomères SMILES | COC1=C(C=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3C=C2)OC |
| PubChem CID | 4880007 |
| Poids moléculaire | 321.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthalenecarboxamides |
| Alternative Parents | Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | 2-naphthalenecarboxamide - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mM) Solubilité maximale | 10 |
|---|---|
| Poids moléculaire | 321.400 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 321.136 Da |
| Monoisotopic Mass | 321.136 Da |
| Topological Polar Surface Area | 47.600 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 414.000 |
| 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 |
