G862-0477 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide

G862-0477 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide
G862-0477 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G862-0477
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)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

G862-0477

Molecular Formula

C22H22N4O5S (C22 H22 N4 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-1,4-dihydropyridin-1-yl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(5-methoxy-2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-14-dihydropyridin-1-yl)acetamide

SMILES

Cc1ccnc(SCC(N(CC(Nc(cc2)cc3c2OCCO3)=O)C=C2OC)=CC2=O)n1

InChI

InChI=1S/C22H22N4O5S/c1-14-5-6-23-22(24-14)32-13-16-10-17(27)20(29-2)11-26(16)12-21(28)25-15-3-4-18-19(9-15)31-8-7-30-18/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,25,28)

InChI Key

RIFUPQDYAXWKNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08341799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.278

Water Solubility, LogSw

-2.46

Polar Surface Area

79.578

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

G862-0477 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 G862-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G862-0477?
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What is the minimum amount of G862-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G862-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G862-0477
  • 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 G862-0477 available by request