G747-0296 Screening compound: 3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one

G747-0296 Screening compound: 3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one
G747-0296 Screening compound: 3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G747-0296
3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G747-0296

Molecular Formula

C21H27ClN2O3 (C21 H27 ClN2 O3)

Compound Name

3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-1,2-dihydropyridin-2-one

IUPAC name

3-[(2-chlorophenyl)(piperidin-1-yl)methyl]-4-hydroxy-1-(2-methoxyethyl)-6-methyl-12-dihydropyridin-2-one

SMILES

CC(N1CCOC)=CC(O)=C(C(c(cccc2)c2Cl)N2CCCCC2)C1=O

InChI

InChI=1S/C21H27ClN2O3/c1-15-14-18(25)19(21(26)24(15)12-13-27-2)20(23-10-6-3-7-11-23)16-8-4-5-9-17(16)22/h4-5,8-9,14,20,25H,3,6-7,10-13H2,1-2H3/t20-/m0/s1

InChI Key

ZKVFWXUZJOFWIK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD09237580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.272

Water Solubility, LogSw

-3.18

Polar Surface Area

41.950

Acid Dissociation Constant (pKa)

5.85

Base Dissociation Constant (pKb)

8.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

G747-0296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with G747-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G747-0296?
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What is the minimum amount of G747-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G747-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G747-0296
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G747-0296 available by request