F843-0646 Screening compound: 4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

F843-0646 Screening compound: 4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
F843-0646 Screening compound: 4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F843-0646
4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

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

F843-0646

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

IUPAC name

4-[(3-methoxyphenyl)sulfanyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]-1H2H-[124]triazolo[43-a]quinoxalin-1-one

SMILES

COc1cccc(SC(C2=NN3CC(N4CCCCC4)=O)=Nc(cccc4)c4N2C3=O)c1

InChI

InChI=1S/C23H23N5O3S/c1-31-16-8-7-9-17(14-16)32-22-21-25-27(15-20(29)26-12-5-2-6-13-26)23(30)28(21)19-11-4-3-10-18(19)24-22/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3

InChI Key

OIYBUNKROWEWHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

3.046

Water Solubility, LogSw

-3.51

Polar Surface Area

63.073

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F843-0646 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with F843-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F843-0646?
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What is the minimum amount of F843-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F843-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F843-0646
  • 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 F843-0646 available by request