GR 46611

CAT: 0607-B5026-50Size: 50 mgDry Ice: NoHazardous: No

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Description

5-HT1D receptor agonist

CAS Number

185259-85-2

Product Name Alternative

(Z)-3-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-(4-methoxybenzyl)acrylamide

Field of Research

GPCR G protein 5-HT Receptor

Purity

0.98

Solubility

Soluble to 50 mM in DMSO and to 10 mM in ethanol

Smiles

O=C(/C=C\C1=CC=C2NC=C(C2=C1)CCN(C)C)NCC(C=C3)=CC=C3OC

Molecular Formula

C23H27N3O2

Molecular Weight

377.49

Shipping Conditions

Blue ice

Storage Conditions

Store at RT.

Chemical Information

GR 46611

3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]-2-propenamide is a member of tryptamines.

CAS Number	185259-85-2
PubChem CID	6160690
IUPAC Name	(E)-3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
Molecular Formula	C23H27N3O2
Molecular Weight	377.5
XLogP	3.2
Topological Polar Surface Area	57.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Heavy Atom Count	28
Formal Charge	0
Complexity	514

SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)/C=C/C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+

InChIKey

LBVZWEWTNUDWNS-YRNVUSSQSA-N

Chemical Structure

2D Structure

CAS: 185259-85-2

CID: 6160690

Formula: C23H27N3O2

MW: 377.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	377.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	377.21032711
Monoisotopic Mass	377.21032711
Topological Polar Surface Area	57.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	514
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GR 46611

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