K781-9162 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide

K781-9162 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide
K781-9162 Screening compound: 5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-9162
5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide

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

K781-9162

Molecular Formula

C24H23ClFN3O3S (C24 H23 ClFN3 O3 S)

Compound Name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide

IUPAC name

5-[(4-benzylpiperazin-1-yl)sulfonyl]-N-(2-chlorophenyl)-2-fluorobenzamide

SMILES

O=C(c(cc(cc1)S(N2CCN(Cc3ccccc3)CC2)(=O)=O)c1F)Nc(cccc1)c1Cl

InChI

InChI=1S/C24H23ClFN3O3S/c25-21-8-4-5-9-23(21)27-24(30)20-16-19(10-11-22(20)26)33(31,32)29-14-12-28(13-15-29)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,30)

InChI Key

VEXUCDDKYBQGCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095286

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

487.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.39

Polar Surface Area

57.883

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

K781-9162 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K781-9162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-9162?
Check Price and Availability of K781-9162, 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 K781-9162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-9162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-9162
  • 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 K781-9162 available by request