4048-4499 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine

4048-4499 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine
4048-4499 Screening compound: 1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4048-4499
1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine

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

4048-4499

Molecular Formula

C20H26N2O (C20 H26 N2 O)

Compound Name

1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine

IUPAC name

1-[2-(4-methylphenoxy)ethyl]-4-(4-methylphenyl)piperazine

SMILES

Cc(cc1)ccc1N1CCN(CCOc2ccc(C)cc2)CC1

InChI

InChI=1S/C20H26N2O/c1-17-3-7-19(8-4-17)22-13-11-21(12-14-22)15-16-23-20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3

InChI Key

JLWVSQHXPLJIJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02931378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.10

Polar Surface Area

14.627

Acid Dissociation Constant (pKa)

28.28

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4048-4499 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 4048-4499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4048-4499?
Check Price and Availability of 4048-4499, 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 4048-4499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4048-4499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4048-4499
  • 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 4048-4499 available by request