K781-6578 Screening compound: 4-[(4-chlorobenzenesulfonamido)methyl]-N-(2,2-diethoxyethyl)benzamide

K781-6578 Screening compound: 4-[(4-chlorobenzenesulfonamido)methyl]-N-(2,2-diethoxyethyl)benzamide
K781-6578 Screening compound: 4-[(4-chlorobenzenesulfonamido)methyl]-N-(2,2-diethoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6578
4-[(4-chlorobenzenesulfonamido)methyl]-N-(2,2-diethoxyethyl)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

K781-6578

Molecular Formula

C20H25ClN2O5S (C20 H25 ClN2 O5 S)

Compound Name

4-[(4-chlorobenzenesulfonamido)methyl]-N-(2,2-diethoxyethyl)benzamide

IUPAC name

4-[(4-chlorobenzenesulfonamido)methyl]-N-(22-diethoxyethyl)benzamide

SMILES

CCOC(CNC(c1ccc(CNS(c(cc2)ccc2Cl)(=O)=O)cc1)=O)OCC

InChI

InChI=1S/C20H25ClN2O5S/c1-3-27-19(28-4-2)14-22-20(24)16-7-5-15(6-8-16)13-23-29(25,26)18-11-9-17(21)10-12-18/h5-12,19,23H,3-4,13-14H2,1-2H3,(H,22,24)

InChI Key

CTINHAXYPWPUMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.853

Water Solubility, LogSw

-3.60

Polar Surface Area

81.336

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-6578 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-6578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6578?
Check Price and Availability of K781-6578, 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 K781-6578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6578
  • 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 K781-6578 available by request