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L-798,106

CAT: 0024-sc-204047ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204047ASize:25 mg
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CAS Number
244101-02-8

Chemical Information

(2E)-N-((5-bromo-2-methoxyphenyl)sulfonyl)-3-(2-(2-naphthalenylmethyl)phenyl)-2-propenamide

L-798106 is an N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of o-naphthalen-2-ylcinnamic acid with the sulfonamide group of 5-bromo-2-methoxybenzenesulfonamide. It is a selective antagonist for the prostanoid receptor EP3, a prostaglandin receptor for prostaglandin E2 (PGE2). It has a role as a prostaglandin receptor antagonist. It is an aromatic ether, a member of bromobenzenes and a N-sulfonylcarboxamide.

CAS Number244101-02-8
PubChem CID15551229
IUPAC Name(E)-N-(5-bromo-2-methoxyphenyl)sulfonyl-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enamide
Molecular FormulaC27H22BrNO4S
Molecular Weight536.4
XLogP6.6
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity810
SMILES
COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)/C=C/C2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H22BrNO4S/c1-33-25-14-13-24(28)18-26(25)34(31,32)29-27(30)15-12-21-7-3-5-9-23(21)17-19-10-11-20-6-2-4-8-22(20)16-19/h2-16,18H,17H2,1H3,(H,29,30)/b15-12+
InChIKey
ODTKFNUPVBULRJ-NTCAYCPXSA-N
Chemical Structure
2D Structure
2D structure of (2E)-N-((5-bromo-2-methoxyphenyl)sulfonyl)-3-(2-(2-naphthalenylmethyl)phenyl)-2-propenamide
CAS: 244101-02-8
CID: 15551229
Formula: C27H22BrNO4S
MW: 536.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.4
XLogP36.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass535.04529
Monoisotopic Mass535.04529
Topological Polar Surface Area80.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
B7371-5L-798,106
110055Hsp-798
T28842-01SQ-24,798
HY-43983-01CRBN ligand-798
33-330Chromogranin A Antibody [CHGA/798]
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HY-113918SW-106
HY-164490LS-106
T24734-01RP-106
T69046-01AK-106

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