K781-8950 Screening compound: 5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)benzamide

K781-8950 Screening compound: 5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)benzamide
K781-8950 Screening compound: 5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-8950
5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)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

K781-8950

Molecular Formula

C21H22F2N2O3S (C21 H22 F2 N2 O3 S)

Compound Name

5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)benzamide

IUPAC name

5-{[2-(cyclohex-1-en-1-yl)ethyl]sulfamoyl}-2-fluoro-N-(3-fluorophenyl)benzamide

SMILES

O=C(c(cc(cc1)S(NCCC2=CCCCC2)(=O)=O)c1F)Nc1cc(F)ccc1

InChI

InChI=1S/C21H22F2N2O3S/c22-16-7-4-8-17(13-16)25-21(26)19-14-18(9-10-20(19)23)29(27,28)24-12-11-15-5-2-1-3-6-15/h4-5,7-10,13-14,24H,1-3,6,11-12H2,(H,25,26)

InChI Key

WZMSWWOGFOYOIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.651

Distribution Coefficient, logD

4.485

Water Solubility, LogSw

-4.65

Polar Surface Area

65.122

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K781-8950 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 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 K781-8950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-8950?
Check Price and Availability of K781-8950, 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 K781-8950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-8950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-8950
  • 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 K781-8950 available by request