4567-0814 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

4567-0814 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
4567-0814 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4567-0814
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

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

4567-0814

Molecular Formula

C25H23ClF3N3O3S (C25 H23 ClF3 N3 O3 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C25H23ClF3N3O3S/c26-22-12-11-19(25(27,28)29)17-23(22)32(36(34,35)21-9-5-2-6-10-21)18-24(33)31-15-13-30(14-16-31)20-7-3-1-4-8-20/h1-12,17H,13-16,18H2

InChI Key

JWUWRMVRIDKMGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.99

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

4.755

Distribution Coefficient, logD

4.755

Water Solubility, LogSw

-5.03

Polar Surface Area

51.144

Acid Dissociation Constant (pKa)

20.71

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

4567-0814 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4567-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4567-0814?
Check Price and Availability of 4567-0814, 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 4567-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4567-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4567-0814
  • 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 4567-0814 available by request