SW106065 - Moligand™, ≥98% , CAS No.62289-81-0

CAS: 62289-81-0 Cat. No.: T668519 분자식: C₁₀H₈N₂OS 분자량: 204.25 PubChem CID: 790407

등급 & 순도 Moligand™, ≥98%

Synonyms

2-Thiophenecarboxamide, N-3-pyridinyl-|N-pyridin-3-ylthiophene-2-carboxamide|N-(pyridin-3-yl)thiophene-2-carboxamide|SW-106065|SW106065|3-pyridyl thiophene-2-carboxamide|N-3-pyridinyl-2-thiophenecarboxamide|SDCCGMLS-0043995.P002|N-(3-Pyridinyl)-2-thiophenecarboxamide|N-(3-PYRIDYL)-2-THIOPHENECARBOXAMIDE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

2-Thiophenecarboxamide, N-3-pyridinyl- | N-pyridin-3-ylthiophene-2-carboxamide | N-(pyridin-3-yl)thiophene-2-carboxamide | SW-106065 | SW106065 | 3-pyridyl thiophene-2-carboxamide | N-3-pyridinyl-2-thiophenecarboxamide | SDCCGMLS-0043995.P002 | N-(3-Pyridinyl)-2-thiophenecarboxamide | N-(3-PYRIDYL)-2-THIOPHENECARBOXAMIDE

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ACTIVATOR

순수함

≥98%

제품 특성

ALogP

1.7

이름과 식별자

Pubchem Sid

528767237

정식 스마일

C1=CC(=CN=C1)NC(=O)C2=CC=CS2

IUPAC Name

N-pyridin-3-ylthiophene-2-carboxamide

InChIKey

UPLHUDRMLWWFRE-UHFFFAOYSA-N

INCHI

1S/C10H8N2OS/c13-10(9-4-2-6-14-9)12-8-3-1-5-11-7-8/h1-7H,(H,12,13)

이성체 SMILES

C1=CC(=CN=C1)NC(=O)C2=CC=CS2

PubChem CID

790407

분자량

204.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxamides
• Alternative Parents: 2-heteroaryl carboxamides Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiophene carboxamide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide.
• 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

관련 대상(인간)

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Discover Target: CAPN2

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

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

HEK293 (82097 Activities)

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

HTT Tchem Huntingtin (19182 Activities)

Discover Target: HTT

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

PTBP1 Tbio Polypyrimidine tract-binding protein 1 (306 Activities)

Discover Target: PTBP1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

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

KLF5 Tchem Kruppel-like factor 5 (178 Activities)

Discover Target: KLF5

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

관련 대상(비인간)

SARS coronavirus 3C-like proteinase (333 Activities)

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INS1 (2867 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 204.250 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.036 Da
• Monoisotopic Mass: 204.036 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 210.000
• 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