Determine the necessary mass, volume, or concentration for preparing a solution.
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≥99%(HPLC) 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.
Application
ML240 has been used as an inhibitor of D2 ATPase activity of valosin-containing protein.
| Canonical Smiles | COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4C5=CC=CC=C5N=C4N |
|---|---|
| IUPAC Name | 2-(2-aminobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine |
| InChIKey | NHAMBLRUUJAFOY-UHFFFAOYSA-N |
| INCHI | 1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28) |
| Isomeric SMILES | COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4C5=CC=CC=C5N=C4N |
| Molecular Weight | 396.44 |
| Reaxy-Rn | 24899602 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24899602&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 | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Benzimidazoles Benzylamines Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers N-substituted imidazoles Imidolactams Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Benzimidazole - Anisole - Phenol ether - Benzylamine - Alkyl aryl ether - Aminopyrimidine - Aminoimidazole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Azacycle - Ether - Organooxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 08, 2025 | M287304 | |
| Certificate of Analysis | Sep 08, 2025 | M287304 | |
| Certificate of Analysis | Sep 08, 2025 | M287304 | |
| Certificate of Analysis | Sep 08, 2025 | M287304 | |
| Certificate of Analysis | Sep 08, 2025 | M287304 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 7.93, Max Conc. mM: 20 |
|---|---|
| Molecular Weight | 396.400 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.17 Da |
| Monoisotopic Mass | 396.17 Da |
| Topological Polar Surface Area | 90.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 558.000 |
| 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 |