≥99% 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.
Information
Z-JIB-04 (NSC 693627) Z-JIB-04 (NSC 693627, JIB-04 Z-isomer) is an isomer of JIB-04. JIB-04 is a pan-selective Jumonji histone demethylase inihibitor with IC50 of 230 nM, 340 nM, 855 nM, 445 nM, 435 nM, 1100 nM and 290 nM for JARID1A, JMJD2E, JMJD3, JMJD2A, JMJD2B, JMJD2C, and JMJD2D, respectively.
Targets
JARID1A (Cell-free assay); JMJD2D (Cell-free assay); JMJD2E (Cell-free assay); JMJD2B (Cell-free assay); JMJD2A (Cell-free assay) 32456,230 nM; 290 nM; 340 nM; 435 nM; 445 nM
| ALogP | 4.424 |
|---|---|
| hba_count | 3 |
| Recuento HBD | 1 |
| Enlace rotable | 4 |
| Pubchem Sid | 504763971 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763971 |
| Sonrisas canónicas | C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3 |
| IUPAC Name | 5-chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine |
| InChIKey | YHHFKWKMXWRVTJ-XLNRJJMWSA-N |
| INCHI | 1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17- |
| Isómeros SMILES | C1=CC=C(C=C1)/C(=N/NC2=NC=C(C=C2)Cl)/C3=CC=CC=N3 |
| Peso molecular | 308.76 |
| Reaxy-Rn | 7907665 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7907665&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 |
| Clase | Pyridines and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridines and derivatives |
| Alternative Parents | Imidolactams Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Hydrazone - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. |
| External Descriptors | Not available |
| Solubilidad | Solubility (25°C) In vitro DMSO: 8 mg/mL (25.91 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| DMSO (mg/ml) Solubilidad máxima | 8 |
| DMSO (mM) Solubilidad máxima | 25.9100919808265 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 308.800 g/mol |
| XLogP3 | 4.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.083 Da |
| Monoisotopic Mass | 308.083 Da |
| Topological Polar Surface Area | 50.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| 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 |
G2220132