L779-0578 Screening compound: 3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-1,2-dihydroquinoxalin-2-one

L779-0578 Screening compound: 3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-1,2-dihydroquinoxalin-2-one
L779-0578 Screening compound: 3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-1,2-dihydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L779-0578
3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-1,2-dihydroquinoxalin-2-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

L779-0578

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-1,2-dihydroquinoxalin-2-one

IUPAC name

3-{[4-(4-acetylphenyl)piperazin-1-yl]methyl}-12-dihydroquinoxalin-2-one

SMILES

CC(c(cc1)ccc1N1CCN(CC2=Nc(cccc3)c3NC2=O)CC1)=O

InChI

InChI=1S/C21H22N4O2/c1-15(26)16-6-8-17(9-7-16)25-12-10-24(11-13-25)14-20-21(27)23-19-5-3-2-4-18(19)22-20/h2-9H,10-14H2,1H3,(H,23,27)

InChI Key

HPULRLBPXJGNOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.896

Water Solubility, LogSw

-2.50

Polar Surface Area

53.948

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L779-0578 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with L779-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L779-0578?
Check Price and Availability of L779-0578, 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 L779-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L779-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L779-0578
  • 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 L779-0578 available by request