8014-8573 Screening compound: 1,2-bis[4-(2-methylphenyl)piperazino]-1-ethanone

8014-8573 Screening compound: 1,2-bis[4-(2-methylphenyl)piperazino]-1-ethanone
8014-8573 Screening compound: 1,2-bis[4-(2-methylphenyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8573
1,2-bis[4-(2-methylphenyl)piperazino]-1-ethanone

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

8014-8573

Molecular Formula

C24H32N4O (C24 H32 N4 O)

Compound Name

1,2-bis[4-(2-methylphenyl)piperazino]-1-ethanone

IUPAC name

12-bis[4-(2-methylphenyl)piperazin-1-yl]ethan-1-one

SMILES

Cc(cccc1)c1N1CCN(CC(N(CC2)CCN2c2c(C)cccc2)=O)CC1

InChI

InChI=1S/C24H32N4O/c1-20-7-3-5-9-22(20)26-13-11-25(12-14-26)19-24(29)28-17-15-27(16-18-28)23-10-6-4-8-21(23)2/h3-10H,11-19H2,1-2H3

InChI Key

NOHFOUARAOQNMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.689

Water Solubility, LogSw

-3.81

Polar Surface Area

26.282

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

8014-8573 in Drug Discovery

Included in Screening Libraries

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

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 8014-8573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8573?
Check Price and Availability of 8014-8573, 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 8014-8573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8573
  • 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 8014-8573 available by request