S26131 - 99%, high purity , CAS No.296280-56-3

Name: S26131 - 99%, high purity , CAS No.296280-56-3
Price: 90.9 USD
Availability: InStock

Grade & Purity:

In stock

Item Number

S648688

Grouped product items
SKU	Size	Availability	Price
S648688-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
S648688-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$150.90
S648688-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$245.90
S648688-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$445.90

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Class A GPCR (4138) GPCR/G Protein (3172) Melatonin Receptor (28) Neuronal Signaling (3320)

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	S26131 (compound 5) is a potent and selective MT1 melatoninergic ligand, and the K i values are 0.5 and 112 nM for MT1 and MT2 , respectively. S26131 behaves as an MT1 and MT2 antagonist.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	S26131 (compound 5) is a potent and selective MT1 melatoninergic ligand, and the K i values are 0.5 and 112 nM for MT1 and MT2 , respectively. S26131 behaves as an MT1 and MT2 antagonist. In Vitro S26131 behaves as an antagonist on MT1 and MT2 receptors with KB values of 5.32 and 143 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Carboxylic acid amides - Acetamides
Direct Parent	N-acetyl-2-arylethylamines
Alternative Parents	Naphthalenes Phenol ethers Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	N-acetyl-2-arylethylamine - Naphthalene - Phenol ether - Alkyl aryl ether - Benzenoid - Secondary carboxylic acid amide - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine.
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

IUPAC Name	N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
INCHI	InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
InChIKey	NSXBZYDTTKLTOH-UHFFFAOYSA-N
Smiles	CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3
Isomeric SMILES	CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3
PubChem CID	9870523
Molecular Weight	498.61

Solubility	DMSO : 31.25 mg/mL (62.67 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight	498.600 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	12
Exact Mass	498.252 Da
Monoisotopic Mass	498.252 Da
Topological Polar Surface Area	76.700 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	657.000
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

Basic Description