L-644,698 - Moligand™ , Agonist of DP 1 receptor, CAS No.72313-41-8, Agonist of DP 1 receptor

CAS: 72313-41-8 Cat. No.: L611394 PubChem CID: 9908595
DISPONIBLE À COMMANDE
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
L-644698;L644698
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
L611394-5mg
Sur commande · 8–12 semaines
694,10€
25mg
L611394-25mg
Sur commande · 8–12 semaines
1 064,63€
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
L-644698;L644698
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
AGONIST
Mécanisme d'action
Agonist of DP 1 receptor
Noms et identifiants
Sourires canoniques
CCCCCC(CCN1C(CCCc2ccc(cc2)C(=O)O)SCC1=O)O
IUPAC Name
4-[3-[3-(3-hydroxyoctyl)-4-oxo-1,3-thiazolidin-2-yl]propyl]benzoic acid
InChIKey
NDAXAJCKSWCWQI-UHFFFAOYSA-N
INCHI
1S/C21H31NO4S/c1-2-3-4-7-18(23)13-14-22-19(24)15-27-20(22)8-5-6-16-9-11-17(12-10-16)21(25)26/h9-12,18,20,23H,2-8,13-15H2,1H3,(H,25,26)
Isomères SMILES
CCCCCC(CCN1C(SCC1=O)CCCC2=CC=C(C=C2)C(=O)O)O
PubChem CID
9908595

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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClasseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids
Alternative Parents Benzoyl derivatives  Thiazolidines  Tertiary carboxylic acid amides  Secondary alcohols  Lactams  Thiohemiaminal derivatives  Dialkylthioethers  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzoic acid - Benzoyl - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Secondary alcohol - Hemithioaminal - Thioether - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
PTGDR Tclin Prostaglandin D2 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire393.500 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass393.197 Da
Monoisotopic Mass393.197 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count27
Formal Charge0
Complexity465.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 72313-41-8. InChIKey NDAXAJCKSWCWQI-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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