[³H]fenobam - Moligand™ , Allosteric modulator of mGlu 5 receptor, CAS No.H614112, Allosteric modulator of mGlu 5 receptor

CAS: H614112 Cat. No.: H614112 PubChem CID: 135497698

GRADE & PURITY Moligand™

Synonyms

MLS006011708 | [3H]fenobam | LP00842 | GTPL1433 | DWPQODZAOSWNHB-UHFFFAOYSA-N | Fenobam | NCGC00092384-04 | FT-0630701 | 1-m-chlorophenyl-3-(1-methyl-4-oxo-2-imidazolidinylidene)urea | Q5443558 | 1-(3-chlorophenyl)-3-[(2Z)-1-methyl-4-oxoimidazolidin-2-yli

Storage

Room temperature

Specifications

Sinónimos

MLS006011708 | [3H]fenobam | LP00842 | GTPL1433 | DWPQODZAOSWNHB-UHFFFAOYSA-N | Fenobam | NCGC00092384-04 | FT-0630701 | 1-m-chlorophenyl-3-(1-methyl-4-oxo-2-imidazolidinylidene)urea | Q5443558 | 1-(3-chlorophenyl)-3-[(2Z)-1-methyl-4-oxoimidazolidin-2-yli

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ALLOSTERIC MODULATOR

Mecanismo de ação

Allosteric modulator of mGlu 5 receptor

Nomes e identificadores

Sorrisos canónicos

O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl

IUPAC Name

3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea

InChIKey

DWPQODZAOSWNHB-UHFFFAOYSA-N

INCHI

1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)

SMILES isoméricas

CN1CC(=O)NC1=NC(=O)NC2=CC(=CC=C2)Cl

PubChem CID

135497698

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Alpha amino acids and derivatives Chlorobenzenes Imidazolinones Aryl chlorides Ureas N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidazolinone - 2-imidazoline - Guanidine - Carbonic acid derivative - N-acylimine - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

GRM5 Tchem Metabotropic glutamate receptor 5 (2 Activities)

Discover Target: GRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriedades químicas e físicas

• Peso molecular: 266.680 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 266.057 Da
• Monoisotopic Mass: 266.057 Da
• Topological Polar Surface Area: 73.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 385.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 H614112. InChIKey DWPQODZAOSWNHB-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.