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N-(4-Methoxyphenyl)Coumarin-3-formamide - 99%, high purity , CAS No.1846-94-2

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N-(4-Methoxyphenyl)Coumarin-3-formamide - 99%, high purity , CAS No.1846-94-2

COA

Grade & Purity:

≥99%

Cas Number: 1846-94-2
Molecular Weight: 295.29
MDL number: MFCD00249919
PubChem CID: 745287

In stock

Item Number

N293986

Grouped product items
SKU	Size	Availability	Price
N293986-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$303.90
N293986-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$752.90
N293986-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,284.90

Basic Description

Synonyms	N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide \| 1846-94-2 \| N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide \| 3-carboxamido coumarin, 16 \| Oprea1_464000 \| Oprea1_693430 \| MLS001203491 \| CHEMBL470420 \| IFLab1_003292 \| SCHEMBL13936231 \| BDBM29166 \| DTXSID80353566 \| 2-Oxo-2H-
Specifications & Purity	≥99%
Storage Temp	Desiccated

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic anilides
Alternative Parents	Coumarins and derivatives 1-benzopyrans Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Aromatic anilide - Coumarin - Benzopyran - 1-benzopyran - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Pyran - Heteroaromatic compound - Carboxamide group - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
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)

MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)

Discover Target: MAOB

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

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

HEK293 (82097 Activities)

Explore this target

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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	N-(4-methoxyphenyl)-2-oxochromene-3-carboxamide
INCHI	InChI=1S/C17H13NO4/c1-21-13-8-6-12(7-9-13)18-16(19)14-10-11-4-2-3-5-15(11)22-17(14)20/h2-10H,1H3,(H,18,19)
InChIKey	UVIDYPCYACCLOZ-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O
Isomeric SMILES	COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O
Molecular Weight	295.29
Reaxy-Rn	273706
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=273706&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Sensitivity to humidity
Molecular Weight	295.290 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	295.084 Da
Monoisotopic Mass	295.084 Da
Topological Polar Surface Area	64.599 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	465.000
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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