K781-6451 Screening compound: N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide

K781-6451 Screening compound: N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide
K781-6451 Screening compound: N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6451
N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-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

K781-6451

Molecular Formula

C25H25ClFN3O3S (C25 H25 ClFN3 O3 S)

Compound Name

N-(2-chlorophenyl)-3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide

IUPAC name

N-(2-chlorophenyl)-3-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-fluorobenzamide

SMILES

Cc1cccc(N(CC2)CCN2S(c(cc(cc2)C(Nc(cccc3)c3Cl)=O)c2F)(=O)=O)c1C

InChI

InChI=1S/C25H25ClFN3O3S/c1-17-6-5-9-23(18(17)2)29-12-14-30(15-13-29)34(32,33)24-16-19(10-11-21(24)27)25(31)28-22-8-4-3-7-20(22)26/h3-11,16H,12-15H2,1-2H3,(H,28,31)

InChI Key

JSFJIXJEQRBVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.418

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.86

Polar Surface Area

57.302

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K781-6451 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-6451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6451?
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What is the minimum amount of K781-6451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6451
  • 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 K781-6451 available by request