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4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide , CAS No.331472-31-2

COA

Cas Number: 331472-31-2
Molecular Weight: 311.4
PubChem CID: 667741

In stock

Item Number

M668377

Grouped product items
SKU	Size	Availability	Price	Qty
M668377-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
M668377-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide \| LUF-5417 \| BDBM50097423 \| STL203008 \| AKOS000813206 \| VU0618369-1 \| EN300-1692894 \| F3394-1093 \| Z275024144 \| 4-Methoxy-N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-benzamide \| 4-Methoxy-N-(3-phenyl-[1,2,4]th

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzamides
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzamide - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
External Descriptors	Not available
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

Associated Targets(Human)

ADORA3 Tchem Adenosine receptor A3 (3 Activities)

Discover Target: ADORA3

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-methoxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
INCHI	InChI=1S/C16H13N3O2S/c1-21-13-9-7-12(8-10-13)15(20)18-16-17-14(19-22-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18,19,20)
InChIKey	RGVXOHBJCGPTQH-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C(=O)NC2=NC(=NS2)C3=CC=CC=C3
Isomeric SMILES	COC1=CC=C(C=C1)C(=O)NC2=NC(=NS2)C3=CC=CC=C3
Molecular Weight	311.4
Reaxy-Rn	8778012
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8778012&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	311.400 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	311.073 Da
Monoisotopic Mass	311.073 Da
Topological Polar Surface Area	92.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	368.000
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

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