VU0090157 - Moligand™ , Allosteric modulator of M 1 receptor, CAS No.V614788, Allosteric modulator of M 1 receptor

CAS: V614788 Cat. No.: V614788 PubChem CID: 2882724
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.
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
V614788-5mg
Sur commande · 8–12 semaines
694,10€
25mg
V614788-25mg
Sur commande · 8–12 semaines
1 041,20€
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

Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Type d'action
ALLOSTERIC MODULATOR
Mécanisme d'action
Allosteric modulator of M 1 receptor
Noms et identifiants
Sourires canoniquesO=C1NC(C(=C(N1C)C)C(=O)OC1CCCC1)c1cc2OCOc2cc1[N+](=O)[O-]
IUPAC Namecyclopentyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
InChIKeyGUFKDOZSNUQIAS-UHFFFAOYSA-N
INCHI1S/C19H21N3O7/c1-10-16(18(23)29-11-5-3-4-6-11)17(20-19(24)21(10)2)12-7-14-15(28-9-27-14)8-13(12)22(25)26/h7-8,11,17H,3-6,9H2,1-2H3,(H,20,24)
Isomères SMILES CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC4CCCC4
PubChem CID 2882724

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
SuperclassOrganoheterocyclic compounds
ClasseBenzodioxoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzodioxoles
Alternative Parents Hydropyrimidine carboxylic acids and derivatives  Nitroaromatic compounds  Pyrimidones  Benzenoids  Vinylogous amides  Enoate esters  Ureas  Acetals  Azacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organic oxoazanium compounds  Organopnictogen compounds  Carbonyl compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzodioxole - Hydropyrimidine carboxylic acid derivative - Nitroaromatic compound - Pyrimidone - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - C-nitro compound - Carbonic acid derivative - Urea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Acetal - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire403.400 g/mol
XLogP32.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass403.138 Da
Monoisotopic Mass403.138 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity728.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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 V614788. InChIKey GUFKDOZSNUQIAS-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.

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