CL-278474 - 10mM in DMSO , CAS No.58125-33-0

CAS: 58125-33-0 Cat. No.: C424875 Molecular Weight: 303.42
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
JM2-11C|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(piperidin-1-yl)acetamide|58125-33-0|OfHex1-IN-2|Cambridge id 5302056|cid_701963|SCHEMBL8289546|CHEMBL1473381|BDBM4
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
C424875-1ml
2

$98.90

$115.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

ATP-utilizing enzyme inhibitory activity

Specifications

Synonyms
JM2-11C | N-(3-cyano-4, 5, 6, 7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide | N-(3-cyano-4, 5, 6, 7-tetrahydro-1-benzothiophen-2-yl)-2-(piperidin-1-yl)acetamide | 58125-33-0 | OfHex1-IN-2 | Cambridge id 5302056 | cid_701963 | SCHEMBL8289546 | CHEMBL1473381 | BDBM4
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Product Properties
ALogP2.922
hba_count1
HBD Count1
Rotatable Bond3
Names and Identifiers
Canonical SmilesC1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N
IUPAC NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide
InChIKeyXXURZILITLKWSP-UHFFFAOYSA-N
INCHI1S/C16H21N3OS/c17-10-13-12-6-2-3-7-14(12)21-16(13)18-15(20)11-19-8-4-1-5-9-19/h1-9,11H2,(H,18,20)
Isomeric SMILES C1CCN(CC1)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N
Molecular Weight 303.42
Reaxy-Rn 1656709
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1656709&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid amides
Alternative Parents N-arylamides  Piperidines  Thiophenes  Heteroaromatic compounds  Trialkylamines  Secondary carboxylic acid amides  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Alpha-amino acid amide - N-arylamide - Piperidine - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR2 Tclin Estrogen receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
DMSO(mM) Max Solubility10
Molecular Weight303.400 g/mol
XLogP33.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass303.141 Da
Monoisotopic Mass303.141 Da
Topological Polar Surface Area84.400 Ų
Heavy Atom Count21
Formal Charge0
Complexity426.000
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
Solution Calculators
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