G876-0189 Screening compound: 2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1,4-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide

G876-0189 Screening compound: 2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1,4-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide
G876-0189 Screening compound: 2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1,4-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G876-0189
2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1,4-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide

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

G876-0189

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1,4-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide

IUPAC name

2-{5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-14-dihydropyridin-1-yl}-N-(2-phenylethyl)acetamide

SMILES

CC1CCN(CC(N(CC(NCCc2ccccc2)=O)C=C2OC)=CC2=O)CC1

InChI

InChI=1S/C23H31N3O3/c1-18-9-12-25(13-10-18)15-20-14-21(27)22(29-2)16-26(20)17-23(28)24-11-8-19-6-4-3-5-7-19/h3-7,14,16,18H,8-13,15,17H2,1-2H3,(H,24,28)

InChI Key

AXEDILRQENXXRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09006295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.588

Distribution Coefficient, logD

1.418

Water Solubility, LogSw

-2.09

Polar Surface Area

51.391

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

G876-0189 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G876-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G876-0189?
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What is the minimum amount of G876-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G876-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G876-0189
  • 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 G876-0189 available by request