K940-0259 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide

K940-0259 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide
K940-0259 Screening compound: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K940-0259
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide

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

K940-0259

Molecular Formula

C20H21ClF3N3O4S (C20 H21 ClF3 N3 O4 S)

Compound Name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide

IUPAC name

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]acetamide

SMILES

COc(cc1)ccc1S(N1CCN(CC(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)CC1)(=O)=O

InChI

InChI=1S/C20H21ClF3N3O4S/c1-31-15-3-5-16(6-4-15)32(29,30)27-10-8-26(9-11-27)13-19(28)25-18-12-14(20(22,23)24)2-7-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,25,28)

InChI Key

VVONADBYNJDPHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05123394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.959

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.42

Polar Surface Area

65.485

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K940-0259 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K940-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K940-0259?
Check Price and Availability of K940-0259, 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 K940-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K940-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K940-0259
  • 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 K940-0259 available by request