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Methyl 3-amino-4-cyano-5-(piperidin-1-yl)thiophene-2-carboxylate - ≥98%, high purity , CAS No.499771-09-4

COA

Grade & Purity:

≥98%

Cas Number: 499771-09-4
Molecular Weight: 265.33
PubChem CID: 2819895

In stock

Item Number

M701386

Grouped product items
SKU	Size	Availability	Price	Qty
M701386-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
M701386-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$782.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thiophenes
    - Subclass Aminothiophenes
      - Level5 2-aminothiophenes
        Level6 3,4,5-trisubstituted-2-aminothiophenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thiophenes
Subclass	Aminothiophenes
Intermediate Tree Nodes	2-aminothiophenes
Direct Parent	3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents	Thiophene carboxylic acids and derivatives Dialkylarylamines Piperidines Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Piperidine - Methyl ester - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Amine - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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	methyl 3-amino-4-cyano-5-piperidin-1-ylthiophene-2-carboxylate
INCHI	InChI=1S/C12H15N3O2S/c1-17-12(16)10-9(14)8(7-13)11(18-10)15-5-3-2-4-6-15/h2-6,14H2,1H3
InChIKey	AMEIYXKGIMEQBV-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=C(S1)N2CCCCC2)C#N)N
Isomeric SMILES	COC(=O)C1=C(C(=C(S1)N2CCCCC2)C#N)N
PubChem CID	2819895
Molecular Weight	265.33

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	265.330 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	265.088 Da
Monoisotopic Mass	265.088 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	362.000
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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