≥98% 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.
Product Describtion:
CDK/Cyclin/ GSK-3/p25/AhR agonist
| Canonical Smiles | CN1C2=C(C=CC(=C2)Br)C(=C1O)C3=C(C4=CC=CC=C4N3)N=O |
|---|---|
| IUPAC Name | 6-bromo-1-methyl-3-(3-nitroso-1H-indol-2-yl)indol-2-ol |
| InChIKey | PIDGGJYETVQYET-UHFFFAOYSA-N |
| INCHI | 1S/C17H12BrN3O2/c1-21-13-8-9(18)6-7-11(13)14(17(21)22)16-15(20-23)10-4-2-3-5-12(10)19-16/h2-8,19,22H,1H3 |
| Isomeric SMILES | CN1C2=C(C=CC(=C2)Br)C(=C1O)C3=C(C4=CC=CC=C4N3)N=O |
| Molecular Weight | 370.2 |
| Reaxy-Rn | 60330548 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60330548&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 | Indoles and derivatives |
| Subclass | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | Hydroxyindoles Indoles N-methylpyrroles Benzenoids Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydroxyindole - N-alkylindole - Indole - Aryl bromide - Aryl halide - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitroso compound - C-nitroso compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2218261 | Certificate of Analysis | Jun 09, 2025 | M286848 |
| H2218262 | Certificate of Analysis | Jun 09, 2025 | M286848 |
| H2218263 | Certificate of Analysis | Jun 09, 2025 | M286848 |
| H2218264 | Certificate of Analysis | Jun 09, 2025 | M286848 |
| H2218265 | Certificate of Analysis | Jun 09, 2025 | M286848 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 3.7, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 370.200 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 369.011 Da |
| Monoisotopic Mass | 369.011 Da |
| Topological Polar Surface Area | 70.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| 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 |
