4478-5268 Screening compound: 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-1-one

4478-5268 Screening compound: 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-1-one
4478-5268 Screening compound: 2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-5268
2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-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

4478-5268

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-phenoxy-1-[4-(2-phenoxyacetyl)piperazin-1-yl]ethan-1-one

SMILES

O=C(COc1ccccc1)N(CC1)CCN1C(COc1ccccc1)=O

InChI

InChI=1S/C20H22N2O4/c23-19(15-25-17-7-3-1-4-8-17)21-11-13-22(14-12-21)20(24)16-26-18-9-5-2-6-10-18/h1-10H,11-16H2

InChI Key

CDQDCIXXBFSRJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01613352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.398

Distribution Coefficient, logD

1.398

Water Solubility, LogSw

-1.40

Polar Surface Area

47.286

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4478-5268 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4478-5268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-5268?
Check Price and Availability of 4478-5268, 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 4478-5268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-5268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-5268
  • 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 4478-5268 available by request