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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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B608141-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$700.90
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|
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B608141-25mg
|
25mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$2,000.90
|
|
| Synonyms | Q27075375 | DW2NWI3TFN | DB12854 | XL 281 [WHO-DD] | BMS-908662 free base | XL281 | XL-281 | (+/-)-Methyl (5-(2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-1H-benzimidazol-2-yl)carbamate | BMS908662 | BMS-908662 | 1029873-02-6 |
|---|---|
| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Serine/threonine-protein kinase RAF inhibitor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzimidazoles |
| Subclass | 2-benzimidazolylcarbamic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-benzimidazolylcarbamic acid esters |
| Alternative Parents | Isoindolones Isoindoles Toluenes Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Imidazoles Heteroaromatic compounds Carbamate esters Lactams Alkanolamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-benzimidazolylcarbamic acid ester - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Tertiary carboxylic acid amide - Carbamic acid ester - Heteroaromatic compound - Azole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Alkanolamine - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-benzimidazolylcarbamic acid esters. These are aromatic heteropolycyclic compounds that contain a carbamic acid ester group, which is N-linked to the C2-atom of a benzimidazole moiety. |
| External Descriptors | Not available |
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| ALogP | 3.9 |
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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | methyl N-[6-[2-(5-chloro-2-methylphenyl)-1-hydroxy-3-oxoisoindol-1-yl]-1H-benzimidazol-2-yl]carbamate |
|---|---|
| INCHI | InChI=1S/C24H19ClN4O4/c1-13-7-9-15(25)12-20(13)29-21(30)16-5-3-4-6-17(16)24(29,32)14-8-10-18-19(11-14)27-22(26-18)28-23(31)33-2/h3-12,32H,1-2H3,(H2,26,27,28,31) |
| InChIKey | MMNNTJYFHUDSKL-UHFFFAOYSA-N |
| Smiles | COC(=O)Nc1nc2c([nH]1)cc(cc2)C1(O)c2ccccc2C(=O)N1c1cc(Cl)ccc1C |
| Isomeric SMILES | CC1=C(C=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OC)O |
| PubChem CID | 56931136 |
| Molecular Weight | 462.9 |
| Molecular Weight | 462.900 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 462.109 Da |
| Monoisotopic Mass | 462.109 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 771.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |