K788-2798 Screening compound: 5-{[(4-chlorophenyl)sulfonyl]methyl}-N~2~-phenethyl-2-furamide

K788-2798 Screening compound: 5-{[(4-chlorophenyl)sulfonyl]methyl}-N~2~-phenethyl-2-furamide
K788-2798 Screening compound: 5-{[(4-chlorophenyl)sulfonyl]methyl}-N~2~-phenethyl-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2798
5-{[(4-chlorophenyl)sulfonyl]methyl}-N~2~-phenethyl-2-furamide

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

K788-2798

Molecular Formula

C20H18ClNO4S (C20 H18 ClNO4 S)

Compound Name

5-{[(4-chlorophenyl)sulfonyl]methyl}-N~2~-phenethyl-2-furamide

IUPAC name

5-[(4-chlorobenzenesulfonyl)methyl]-N-(2-phenylethyl)furan-2-carboxamide

SMILES

O=C(c1ccc(CS(c(cc2)ccc2Cl)(=O)=O)o1)NCCc1ccccc1

InChI

InChI=1S/C20H18ClNO4S/c21-16-6-9-18(10-7-16)27(24,25)14-17-8-11-19(26-17)20(23)22-13-12-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,23)

InChI Key

RXGUNSHIFXGCAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15104001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.89

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

3.518

Distribution Coefficient, logD

3.518

Water Solubility, LogSw

-3.84

Polar Surface Area

61.099

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

K788-2798 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-2798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2798?
Check Price and Availability of K788-2798, 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 K788-2798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2798
  • 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 K788-2798 available by request