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.
Information
MCP110 is an inhibitor ofRas/Raf-1interaction. MCP110 disrupts the interaction of activated Ras with Raf and is potential for the treatment of human tumors.
Targets
Raf-1 ; Ras-Raf interaction
| ALogP | 6.677 |
|---|---|
| hba_count | 4 |
| Rotatable Bond | 14 |
| Pubchem Sid | 528765430 |
|---|---|
| Canonical Smiles | COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| IUPAC Name | N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide |
| InChIKey | JWLZIHLAMJDONF-UHFFFAOYSA-N |
| INCHI | 1S/C33H36N2O3/c1-37-32-24-29(19-20-31(32)38-26-28-15-6-3-7-16-28)25-35(23-21-30-17-10-11-22-34-30)33(36)18-9-8-14-27-12-4-2-5-13-27/h2-7,10-13,15-17,19-20,22,24H,8-9,14,18,21,23,25-26H2,1H3 |
| Isomeric SMILES | COC1=C(C=CC(=C1)CN(CCC2=CC=CC=N2)C(=O)CCCCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| Molecular Weight | 508.65 |
| Reaxy-Rn | 9815374 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9815374&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 | Benzenoids |
| Class | Phenol ethers |
| Subclass | Anisoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Anisoles |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyridines and derivatives N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - N-acyl-amine - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO(mg / mL) Max Solubility | 100 |
|---|---|
| DMSO(mM) Max Solubility | 196.598840066844 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 508.600 g/mol |
| XLogP3 | 6.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 14 |
| Exact Mass | 508.273 Da |
| Monoisotopic Mass | 508.273 Da |
| Topological Polar Surface Area | 51.700 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 646.000 |
| 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 |
