8019-6528 Screening compound: 3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-4-isobenzofuranyl)methyl]sulfanyl}-2(1H)-quinoxalinone

8019-6528 Screening compound: 3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-4-isobenzofuranyl)methyl]sulfanyl}-2(1H)-quinoxalinone
8019-6528 Screening compound: 3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-4-isobenzofuranyl)methyl]sulfanyl}-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6528
3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-4-isobenzofuranyl)methyl]sulfanyl}-2(1H)-quinoxalinone

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

8019-6528

Molecular Formula

C20H18N2O6S (C20 H18 N2 O6 S)

Compound Name

3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-4-isobenzofuranyl)methyl]sulfanyl}-2(1H)-quinoxalinone

IUPAC name

3-{[(567-trimethoxy-3-oxo-13-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}-12-dihydroquinoxalin-2-one

SMILES

COc(c(COC1=O)c1c(CSC1=Nc(cccc2)c2NC1=O)c1OC)c1OC

InChI

InChI=1S/C20H18N2O6S/c1-25-15-10-8-28-20(24)14(10)11(16(26-2)17(15)27-3)9-29-19-18(23)21-12-6-4-5-7-13(12)22-19/h4-7H,8-9H2,1-3H3,(H,21,23)

InChI Key

AOYSJQUPTGIJQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09764060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.598

Distribution Coefficient, logD

2.598

Water Solubility, LogSw

-3.10

Polar Surface Area

79.096

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-6528 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8019-6528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6528?
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What is the minimum amount of 8019-6528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6528
  • 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 8019-6528 available by request