G876-0323 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-cyclopentylacetamide

G876-0323 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-cyclopentylacetamide
G876-0323 Screening compound: 2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G876-0323
2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-cyclopentylacetamide

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

G876-0323

Molecular Formula

C20H31N3O3 (C20 H31 N3 O3)

Compound Name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl}-N-cyclopentylacetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-5-methoxy-4-oxo-14-dihydropyridin-1-yl}-N-cyclopentylacetamide

SMILES

COC1=CN(CC(NC2CCCC2)=O)C(CN2CCCCCC2)=CC1=O

InChI

InChI=1S/C20H31N3O3/c1-26-19-14-23(15-20(25)21-16-8-4-5-9-16)17(12-18(19)24)13-22-10-6-2-3-7-11-22/h12,14,16H,2-11,13,15H2,1H3,(H,21,25)

InChI Key

IUPDHZAYUMLVTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08534455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.685

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-2.01

Polar Surface Area

51.972

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

G876-0323 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G876-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G876-0323?
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What is the minimum amount of G876-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G876-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G876-0323
  • 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 G876-0323 available by request