F844-0426 Screening compound: N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

F844-0426 Screening compound: N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
F844-0426 Screening compound: N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F844-0426
N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-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

F844-0426

Molecular Formula

C22H22N6O2S (C22 H22 N6 O2 S)

Compound Name

N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

IUPAC name

N-benzyl-2-[1-oxo-4-(thiomorpholin-4-yl)-1H2H-[124]triazolo[43-a]quinoxalin-2-yl]acetamide

SMILES

O=C(CN(C1=O)N=C2N1c(cccc1)c1N=C2N1CCSCC1)NCc1ccccc1

InChI

InChI=1S/C22H22N6O2S/c29-19(23-14-16-6-2-1-3-7-16)15-27-22(30)28-18-9-5-4-8-17(18)24-20(21(28)25-27)26-10-12-31-13-11-26/h1-9H,10-15H2,(H,23,29)

InChI Key

FOWUVHKJQKNUPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.096

Water Solubility, LogSw

-2.60

Polar Surface Area

66.231

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F844-0426 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F844-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F844-0426?
Check Price and Availability of F844-0426, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F844-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F844-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F844-0426
  • 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 F844-0426 available by request