F843-0713 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl}acetamide

F843-0713 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl}acetamide
F843-0713 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F843-0713
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-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

F843-0713

Molecular Formula

C26H21N5O4S (C26 H21 N5 O4 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{4-[(3-methylphenyl)sulfanyl]-1-oxo-1H2H-[124]triazolo[43-a]quinoxalin-2-yl}acetamide

SMILES

Cc1cccc(SC(C2=NN3CC(Nc(cc4)cc5c4OCCO5)=O)=Nc(cccc4)c4N2C3=O)c1

InChI

InChI=1S/C26H21N5O4S/c1-16-5-4-6-18(13-16)36-25-24-29-30(26(33)31(24)20-8-3-2-7-19(20)28-25)15-23(32)27-17-9-10-21-22(14-17)35-12-11-34-21/h2-10,13-14H,11-12,15H2,1H3,(H,27,32)

InChI Key

DMLCFZTWOPFKDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.514

Distribution Coefficient, logD

3.514

Water Solubility, LogSw

-3.82

Polar Surface Area

78.109

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

F843-0713 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with F843-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F843-0713?
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What is the minimum amount of F843-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F843-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F843-0713
  • 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 F843-0713 available by request