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ML-SI3 - 10mM in DMSO, high purity , CAS No.891016-02-7(DMSO)
Basic Description
Synonyms
891016-02-7 | ML-SI3 | N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide | CCG-143140 | N-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]cyclohexyl)benzenesulfonamide | N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide | N-{2-[4-(2-Meth
Specifications & Purity
10mM in DMSO
Storage Temp
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.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Benzenesulfonamides Methoxyanilines Aminophenyl ethers Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers N-alkylpiperazines Cyclohexylamines Organosulfonamides Aminosulfonyl compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpiperazine - N-arylpiperazine - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - Anisole - Tertiary aliphatic/aromatic amine - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Alkyl aryl ether - Cyclohexylamine - N-alkylpiperazine - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
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.
Associated Targets(Human)
Associated Targets(non-human)
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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
INCHI
InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3
InChIKey
OVTXOMMQHRIKGL-UHFFFAOYSA-N
Smiles
COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4
Isomeric SMILES
COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4
Molecular Weight
429.58
Reaxy-Rn
56024007
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56024007&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO：43 mg/mL (100.10 mM)；Ethanol：2 mg/mL (4.66 mM)；Water： Insoluble；
Molecular Weight
429.600 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
429.209 Da
Monoisotopic Mass
429.209 Da
Topological Polar Surface Area
70.300 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
624.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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