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GR 113808

CAT: 0607-B6688-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6688-10Size:10 mg
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Description
5-HT4 receptor antagonist
CAS Number
144625-51-4
Product Name Alternative
(1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Form
White solid
Solubility
<9.84mg/ml in 1eq. HCl
Smiles
O=C(C1=CN(C)C2=CC=CC=C12)OCC3CCN(CCNS(=O)(C)=O)CC3
Molecular Formula
C19H27N3O4S
Molecular Weight
393.5
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate

GR 113808 is an indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide. It has a role as a serotonergic antagonist. It is a member of piperidines, a sulfonamide and an indolyl carboxylate ester.

CAS Number144625-51-4
PubChem CID119376
IUPAC Name[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Molecular FormulaC19H27N3O4S
Molecular Weight393.5
XLogP1.7
Topological Polar Surface Area89
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity599
SMILES
CN1C=C(C2=CC=CC=C21)C(=O)OCC3CCN(CC3)CCNS(=O)(=O)C
InChI
InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChIKey
MOZPSIXKYJUTKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CAS: 144625-51-4
CID: 119376
Formula: C19H27N3O4S
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass393.17222752
Monoisotopic Mass393.17222752
Topological Polar Surface Area89 Ų
Heavy Atom Count27
Formal Charge0
Complexity599
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

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Alternative Products

CatalogName
1322/50GR 113808
HY-103152R-01GR 113808 (Standard)
217398GR113808 (5-HT4 Serotonin Receptor Antagonist, GR113808, GR 113808, GR-113808)

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