Determine the necessary mass, volume, or concentration for preparing a solution.
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224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview
Pifithrin-β (PFT β) is a potent p53 inhibitor with an IC50 of 23 μM.
Specifications
Synonyms
Cyclic Pifithrin-α
Specifications & Purity
Moligand™, ≥98%
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Purity
≥98%
Product Properties
| ALogP | 5 |
|---|
Names and Identifiers
| Canonical Smiles | CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2 |
|---|---|
| IUPAC Name | 2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole |
| InChIKey | IMUKUMUNZJILCG-UHFFFAOYSA-N |
| INCHI | 1S/C16H16N2S/c1-11-6-8-12(9-7-11)13-10-18-14-4-2-3-5-15(14)19-16(18)17-13/h6-10H,2-5H2,1H3 |
| Isomeric SMILES | CC1=CC=C(C=C1)C2=CN3C4=C(CCCC4)SC3=N2 |
| Alternate CAS | 511296-88-1 |
| Molecular Weight | 268.38 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Class Azoles
- Subclass Imidazoles
- Level5 Substituted imidazoles
- Level6 Phenylimidazoles
- Level5 Substituted imidazoles
- Subclass Imidazoles
- Class Azoles
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Toluenes N-substituted imidazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4-phenylimidazole - 5-phenylimidazole - Toluene - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
IGROV-1 (47897 Activities)
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Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
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Mus musculus (284745 Activities)
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Rattus norvegicus (775804 Activities)
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2617332 | Certificate of Analysis | Jan 22, 2026 | P697730 |
| F2617333 | Certificate of Analysis | Jan 22, 2026 | P697730 |
| F2617334 | Certificate of Analysis | Jan 22, 2026 | P697730 |
| F2617338 | Certificate of Analysis | Jan 22, 2026 | P697730 |
Chemical and Physical Properties
| Molecular Weight | 268.400 g/mol |
|---|---|
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 268.103 Da |
| Monoisotopic Mass | 268.103 Da |
| Topological Polar Surface Area | 45.500 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 327.000 |
| 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 |
Solution Calculators
Reviews
Customer Reviews
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