K784-5063 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate

K784-5063 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate
K784-5063 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5063
methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate

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

K784-5063

Molecular Formula

C22H19ClFNO4S (C22 H19 ClFNO4 S)

Compound Name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate

IUPAC name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-chlorobenzenesulfonamido}phenyl)acetate

SMILES

COC(Cc(cc1)ccc1N(Cc(cccc1)c1F)S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C22H19ClFNO4S/c1-29-22(26)14-16-6-10-19(11-7-16)25(15-17-4-2-3-5-21(17)24)30(27,28)20-12-8-18(23)9-13-20/h2-13H,14-15H2,1H3

InChI Key

XVVQLRHLUMREOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-5.12

Polar Surface Area

52.371

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-12.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K784-5063 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K784-5063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5063?
Check Price and Availability of K784-5063, 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 K784-5063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5063
  • 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 K784-5063 available by request