Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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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™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads 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.
Specifications
Synonyms
A 119637;A119637
Specifications & Purity
Moligand™, ≥95%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ANTAGONIST
Mechanism of action
Antagonist of α 1A-adrenoceptor;Antagonist of α 1B-adrenoceptor;Antagonist of α 1D-adrenoceptor
Purity
≥95%
Names and Identifiers
| Pubchem Sid | 528762982 |
|---|---|
| Canonical Smiles | COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1 |
| IUPAC Name | 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-phenyl-1H-thieno[3,2-e]pyrimidine-2,4-dione |
| InChIKey | HLVQBOYEHQRWHG-UHFFFAOYSA-N |
| INCHI | 1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31) |
| Isomeric SMILES | COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(NC3=O)SC=C4C5=CC=CC=C5 |
| PubChem CID | 9890547 |
| Molecular Weight | 462.56 |
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 Diazinanes
- Subclass Piperazines
- Class Diazinanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazinanes |
| Subclass | Piperazines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperazines |
| Alternative Parents | N-arylpiperazines Aminophenyl ethers Methoxyanilines Thienopyrimidines Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-alkylpiperazines Thiophenes Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-arylpiperazine - Phenylpiperazine - Thienopyrimidine - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Phenol ether - Pyrimidone - N-alkylpiperazine - Alkyl aryl ether - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Thiophene - Heteroaromatic compound - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
ADRA2C Tclin Alpha-2C adrenergic receptor (1 Activities)
ADRA1B Tclin Alpha-1B adrenergic receptor (2 Activities)
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ADRA2A Tclin Alpha-2A adrenergic receptor (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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ADRA1D Tclin Alpha-1D adrenergic receptor (3 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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ADRA1A Tclin Alpha-1A adrenergic receptor (4 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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DRD2 Tclin Dopamine D2 receptor (23596 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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DRD1 Tclin Dopamine D1 receptor (9720 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ADRA1D Tclin Alpha-1d adrenergic receptor (4171 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ADRA1B Tclin Alpha-1b adrenergic receptor (2912 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ADRA2B Tclin Alpha-2b adrenergic receptor (4412 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ADRA2C Tclin Alpha-2c adrenergic receptor (4876 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|---|---|---|
 C24141880 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414188 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414189 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414190 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414191 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414200 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414201 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414202 | Certificate of Analysis | Feb 02, 2024 | A607279 |
| C2414203 | Certificate of Analysis | Feb 02, 2024 | A607279 |
Chemical and Physical Properties
| Molecular Weight | 462.600 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 462.173 Da |
| Monoisotopic Mass | 462.173 Da |
| Topological Polar Surface Area | 93.400 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 695.000 |
| 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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