L779-0026 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazino]methyl}-6,7-dimethyl-2(1H)-quinoxalinone

L779-0026 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazino]methyl}-6,7-dimethyl-2(1H)-quinoxalinone
L779-0026 Screening compound: 3-{[4-(5-chloro-2-methylphenyl)piperazino]methyl}-6,7-dimethyl-2(1H)-quinoxalinone alternative view

Chemical Structure Depiction of ChemDiv screening compound L779-0026
3-{[4-(5-chloro-2-methylphenyl)piperazino]methyl}-6,7-dimethyl-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

L779-0026

Molecular Formula

C22H25ClN4O (C22 H25 ClN4 O)

Compound Name

3-{[4-(5-chloro-2-methylphenyl)piperazino]methyl}-6,7-dimethyl-2(1H)-quinoxalinone

IUPAC name

3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-67-dimethyl-12-dihydroquinoxalin-2-one

SMILES

Cc(ccc(Cl)c1)c1N1CCN(CC2=Nc(cc(C)c(C)c3)c3NC2=O)CC1

InChI

InChI=1S/C22H25ClN4O/c1-14-4-5-17(23)12-21(14)27-8-6-26(7-9-27)13-20-22(28)25-19-11-16(3)15(2)10-18(19)24-20/h4-5,10-12H,6-9,13H2,1-3H3,(H,25,28)

InChI Key

ZJSZHWDUSOAXNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.446

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.45

Polar Surface Area

39.820

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

L779-0026 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L779-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L779-0026?
Check Price and Availability of L779-0026, 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 L779-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L779-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L779-0026
  • 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 L779-0026 available by request