F842-0941 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,5-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

F842-0941 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,5-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
F842-0941 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,5-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F842-0941
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,5-dimethylphenoxy)-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

F842-0941

Molecular Formula

C27H23N5O5 (C27 H23 N5 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,5-dimethylphenoxy)-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-(35-dimethylphenoxy)-1-oxo-1H2H-[124]triazolo[43-a]quinoxalin-2-yl]acetamide

SMILES

Cc1cc(OC(C2=NN3CC(Nc(cc4)cc5c4OCCO5)=O)=Nc(cccc4)c4N2C3=O)cc(C)c1

InChI

InChI=1S/C27H23N5O5/c1-16-11-17(2)13-19(12-16)37-26-25-30-31(27(34)32(25)21-6-4-3-5-20(21)29-26)15-24(33)28-18-7-8-22-23(14-18)36-10-9-35-22/h3-8,11-14H,9-10,15H2,1-2H3,(H,28,33)

InChI Key

MYLKNJRTHDHXQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16636478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.86

Polar Surface Area

85.737

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F842-0941 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F842-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F842-0941?
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What is the minimum amount of F842-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F842-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F842-0941
  • 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 F842-0941 available by request