N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide , CAS No.301321-93-7

CAS: 301321-93-7 Cat. No.: N668612 Peso molecular: 362.5
Disponible para pedir
Synonyms
N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide | N,N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2pg2 | BAS 00486632 | TimTec1_001033 | Oprea1_074172 | Oprea1_809
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
N668612-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
N668612-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
N, N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4, 5, 6, 7-Tetrahydro-1-Benzothiophene-3-Carboxamide | N, N-diethyl-2-[(thiophen-2-ylcarbonyl)amino]-4, 5, 6, 7-tetrahydro-1-benzothiophene-3-carboxamide | 2pg2 | BAS 00486632 | TimTec1_001033 | Oprea1_074172 | Oprea1_809
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP4.8
Nombres e identificadores
Sonrisas canónicasCCN(CC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3
IUPAC NameN,N-diethyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
InChIKeyNZTHBWHANVWSRX-UHFFFAOYSA-N
INCHI1S/C18H22N2O2S2/c1-3-20(4-2)18(22)15-12-8-5-6-9-13(12)24-17(15)19-16(21)14-10-7-11-23-14/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,21)
Isómeros SMILES CCN(CC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3
Peso molecular 362.5
Reaxy-Rn 18621224
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18621224&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseThiophenes
SubclassThiophene carboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentThiophene carboxamides
Alternative Parents 2-heteroaryl carboxamides  Vinylogous amides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Secondary carboxylic acid amides  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-heteroaryl carboxamide - Thiophene carboxamide - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
KIF11 Tchem Kinesin-like protein KIF11 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular362.500 g/mol
XLogP34.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass362.112 Da
Monoisotopic Mass362.112 Da
Topological Polar Surface Area106.000 Ų
Heavy Atom Count24
Formal Charge0
Complexity470.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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