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
PKG drug G1 PKG drug G1 is an activater of Protein Kinase G Iα (PKG Iα) targeting C42, resulting vasodilation and blood pressure lowering.
Targets
PKG Iα
| ALogP | 2.269 |
|---|---|
| HBD Count | 3 |
| Rotatable Bond | 1 |
| Canonical Smiles | CC1=NC2=CC=CC=C2C1=CC3=C(NC(=S)N3)O |
|---|---|
| IUPAC Name | 4-hydroxy-5-[(Z)-(2-methylindol-3-ylidene)methyl]-1,3-dihydroimidazole-2-thione |
| InChIKey | BPJCCABLAZZIEJ-RMKNXTFCSA-N |
| INCHI | 1S/C13H11N3OS/c1-7-9(6-11-12(17)16-13(18)15-11)8-4-2-3-5-10(8)14-7/h2-6,17H,1H3,(H2,15,16,18)/b9-6+ |
| Isomeric SMILES | CC\1=NC2=CC=CC=C2/C1=C/C3=C(NC(=S)N3)O |
| PubChem CID | 135402990 |
| Molecular Weight | 257.31 |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles and derivatives |
| Alternative Parents | Imidazolethiones Benzenoids Imidazoles Heteroaromatic compounds Thioureas Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole or derivatives - Benzenoid - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Imine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. |
| External Descriptors | Not available |
| DMSO(mg / mL) Max Solubility | 51 |
|---|---|
| DMSO(mM) Max Solubility | 198.204500408068 |
| Water(mg / mL) Max Solubility | ＜1 |
| Molecular Weight | 257.310 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 257.062 Da |
| Monoisotopic Mass | 257.062 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 492.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
