≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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.
PHGDH-inactive has no activity against PHGDH and serves as a negative control of NCT-502 and NCT-503.
In Vitro
PHGDH-inactive has no activity against PHGDH and serves as a negative control. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
| Canonical Smiles | CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=CC=NC=C3)C |
|---|---|
| IUPAC Name | N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide |
| InChIKey | ITLPIAAGIQAGRA-UHFFFAOYSA-N |
| INCHI | 1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23) |
| Isomeric SMILES | CC1=CC(=NC(=C1)NC(=S)N2CCN(CC2)C3=CC=NC=C3)C |
| PubChem CID | 49853203 |
| Molecular Weight | 327.45 |
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 | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpiperazines |
| Alternative Parents | N-arylpiperazines Dialkylarylamines Methylpyridines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Thioureas Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Methylpyridine - Pyridine - Imidolactam - Heteroaromatic compound - Thiourea - Tertiary amine - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 83.33 mg/mL (254.48 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 327.400 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 327.152 Da |
| Monoisotopic Mass | 327.152 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 390.000 |
| 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 |
