G862-0553 Screening compound: 2-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]acetamide

G862-0553 Screening compound: 2-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]acetamide
G862-0553 Screening compound: 2-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0553
2-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]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

G862-0553

Molecular Formula

C20H22N4O4S (C20 H22 N4 O4 S)

Compound Name

2-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-(2-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-5-methoxy-4-oxo-14-dihydropyridin-1-yl)-N-[(furan-2-yl)methyl]acetamide

SMILES

Cc1nc(SCC(N(CC(NCc2ccco2)=O)C=C2OC)=CC2=O)nc(C)c1

InChI

InChI=1S/C20H22N4O4S/c1-13-7-14(2)23-20(22-13)29-12-15-8-17(25)18(27-3)10-24(15)11-19(26)21-9-16-5-4-6-28-16/h4-8,10H,9,11-12H2,1-3H3,(H,21,26)

InChI Key

ZUSLOMYWHZNFPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.799

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-2.47

Polar Surface Area

72.200

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G862-0553 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 G862-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0553?
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What is the minimum amount of G862-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0553
  • 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 G862-0553 available by request