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
SMI-16a is a selectivePimkinase inhibitor with IC50 values of 150 nM and 20 nM for Pim1 and Pim2 respectively.
Targets
Pim2 ; Pim1 20 nM; 150 nM
| ALogP | 2.798 |
|---|---|
| HBD-Zahl | 1 |
| Rotationsfähige Bindung | 4 |
| Pubchem Sid | 528767148 |
|---|---|
| Kanonisches Lächeln | CCCOC1=CC=C(C=C1)C=C2C(=O)NC(=O)S2 |
| IUPAC Name | (5E)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| InChIKey | GBWOSXZUTXXXQF-DHZHZOJOSA-N |
| INCHI | 1S/C13H13NO3S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(15)14-13(16)18-11/h3-6,8H,2,7H2,1H3,(H,14,15,16)/b11-8+ |
| Isomere SMILES | CCCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=O)S2 |
| PubChem CID | 25102785 |
| Molekulargewicht | 263.31 |
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 | Benzenoids |
| Klasse | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Thiazolidinediones Alkyl aryl ethers Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Monocyclic benzene moiety - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mg/ml) Maximale Löslichkeit | 53 |
|---|---|
| DMSO (mM) Maximale Löslichkeit | 201.28365804565 |
| Wasser (mg/ml) Maximale Löslichkeit | ＜1 |
| Molekulargewicht | 263.310 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 263.062 Da |
| Monoisotopic Mass | 263.062 Da |
| Topological Polar Surface Area | 80.700 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 359.000 |
| 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 |
