K781-6178 Screening compound: 4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide

K781-6178 Screening compound: 4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide
K781-6178 Screening compound: 4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6178
4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide

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

K781-6178

Molecular Formula

C25H26FN3O4S (C25 H26 FN3 O4 S)

Compound Name

4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide

IUPAC name

4-fluoro-3-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}-N-(2-methylphenyl)benzamide

SMILES

Cc(cccc1)c1NC(c(cc1)cc(S(N(CC2)CCN2c(cc2)ccc2OC)(=O)=O)c1F)=O

InChI

InChI=1S/C25H26FN3O4S/c1-18-5-3-4-6-23(18)27-25(30)19-7-12-22(26)24(17-19)34(31,32)29-15-13-28(14-16-29)20-8-10-21(33-2)11-9-20/h3-12,17H,13-16H2,1-2H3,(H,27,30)

InChI Key

KBCMLIUMLJLLKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.138

Water Solubility, LogSw

-4.19

Polar Surface Area

65.147

Acid Dissociation Constant (pKa)

9.37

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K781-6178 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-6178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6178?
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What is the minimum amount of K781-6178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6178
  • 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 K781-6178 available by request