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S26131

CAT: 0931-T16834-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16834-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
296280-56-3
Target
MT Receptor, Melatonin Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9977
Bioactivity
S26131 (N-[2-[7-[3-[8- (2-acetamidoethyl) naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide) behaves as an antagonist on MT1 and MT2 receptors with Ki of 0.5 and 112 nM respectively.
Smiles
CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Molecular Formula
C31H34N2O4
Molecular Weight
498.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CAS Number296280-56-3
PubChem CID9870523
IUPAC NameN-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
Molecular FormulaC31H34N2O4
Molecular Weight498.6
XLogP5.6
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count37
Formal Charge0
Complexity657
SMILES
CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OCCCOC3=CC4=C(C=CC=C4CCNC(=O)C)C=C3
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
Chemical Structure
2D Structure
2D structure of N-[2-[7-[3-[8-(2-acetamidoethyl)naphthalen-2-yl]oxypropoxy]naphthalen-1-yl]ethyl]acetamide
CAS: 296280-56-3
CID: 9870523
Formula: C31H34N2O4
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass498.25185757
Monoisotopic Mass498.25185757
Topological Polar Surface Area76.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity657
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5551-10S26131

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