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
VU0238441 is a panmuscarinic acetylcholine receptor (mAChR)positive allosteric modulator (PAM) with EC50 of 2.1 μM, 2.2 μM, 2.8 μM, 3.2 μM and >10 μM for M5, M3, M2, M1 and M4, respectively.
Targets
mAChR M5 (Cell-free assay); mAChR M3 (Cell-free assay); mAChR M2 (Cell-free assay); mAChR M1 (Cell-free assay); mAChR M4 (Cell-free assay)
;2.1 μM; 2.2 μM; 2.8 μM; 3.2 μM; >10 μM| ALogP | 4.066 |
|---|---|
| Rotatable Bond | 3 |
| Pubchem Sid | 528767666 |
|---|---|
| Canonical Smiles | C1=CC2=C(C(=C1)Cl)N(C(=O)C2=O)CC3=CC=C(C=C3)C(F)(F)F |
| IUPAC Name | 7-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2,3-dione |
| InChIKey | MIAQTWNDRFRVOQ-UHFFFAOYSA-N |
| INCHI | 1S/C16H9ClF3NO2/c17-12-3-1-2-11-13(12)21(15(23)14(11)22)8-9-4-6-10(7-5-9)16(18,19)20/h1-7H,8H2 |
| Isomeric SMILES | C1=CC2=C(C(=C1)Cl)N(C(=O)C2=O)CC3=CC=C(C=C3)C(F)(F)F |
| PubChem CID | 44158142 |
| Molecular Weight | 339.7 |
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 | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Indoles and derivatives Aryl ketones Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Trifluoromethylbenzene - Indole or derivatives - Aryl ketone - Aryl chloride - Aryl halide - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Ketone - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
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| DMSO(mg / mL) Max Solubility | 50 |
|---|---|
| DMSO(mM) Max Solubility | 147.188695908154 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 339.690 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 339.027 Da |
| Monoisotopic Mass | 339.027 Da |
| Topological Polar Surface Area | 37.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |
