4092-0379 Screening compound: 1-{4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE

4092-0379 Screening compound: 1-{4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE
4092-0379 Screening compound: 1-{4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0379
1-{4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-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

4092-0379

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

1-{4-[(3-METHYLPHENYL)METHYL]PIPERAZIN-1-YL}-2-PHENOXYETHAN-1-ONE

IUPAC name

1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}-2-phenoxyethan-1-one

SMILES

Cc1cccc(CN(CC2)CCN2C(COc2ccccc2)=O)c1

InChI

InChI=1S/C20H24N2O2/c1-17-6-5-7-18(14-17)15-21-10-12-22(13-11-21)20(23)16-24-19-8-3-2-4-9-19/h2-9,14H,10-13,15-16H2,1H3

InChI Key

OWYNSYXSGZTSNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212115

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-3.03

Polar Surface Area

27.399

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4092-0379 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4092-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0379?
Check Price and Availability of 4092-0379, 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 4092-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0379
  • 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 4092-0379 available by request