K781-8766 Screening compound: 5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

K781-8766 Screening compound: 5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide
K781-8766 Screening compound: 5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8766
5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-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

K781-8766

Molecular Formula

C22H17ClF4N2O3S (C22 H17 ClF4 N2 O3 S)

Compound Name

5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

IUPAC name

5-[benzyl(methyl)sulfamoyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-fluorobenzamide

SMILES

CN(Cc1ccccc1)S(c(cc1)cc(C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)c1F)(=O)=O

InChI

InChI=1S/C22H17ClF4N2O3S/c1-29(13-14-5-3-2-4-6-14)33(31,32)16-8-10-19(24)17(12-16)21(30)28-20-11-15(22(25,26)27)7-9-18(20)23/h2-12H,13H2,1H3,(H,28,30)

InChI Key

ISCDPQPMVWZPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.633

Distribution Coefficient, logD

3.552

Water Solubility, LogSw

-5.86

Polar Surface Area

55.196

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K781-8766 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K781-8766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8766?
Check Price and Availability of K781-8766, 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 K781-8766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8766
  • 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 K781-8766 available by request