4092-0012 Screening compound: 1-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-2-phenoxy-1-ethanone

4092-0012 Screening compound: 1-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-2-phenoxy-1-ethanone
4092-0012 Screening compound: 1-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-2-phenoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0012
1-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-2-phenoxy-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

4092-0012

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

1-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-2-phenoxy-1-ethanone

IUPAC name

1-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-2-phenoxyethan-1-one

SMILES

COc(cc1)ccc1S(N(CC1)CCN1C(COc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C19H22N2O5S/c1-25-16-7-9-18(10-8-16)27(23,24)21-13-11-20(12-14-21)19(22)15-26-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3

InChI Key

NRDDETQQWYZKTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02212754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.900

Distribution Coefficient, logD

1.900

Water Solubility, LogSw

-2.37

Polar Surface Area

62.921

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

4092-0012 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4092-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0012?
Check Price and Availability of 4092-0012, 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 4092-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0012
  • 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 4092-0012 available by request