K781-4937 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide

K781-4937 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide
K781-4937 Screening compound: N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-4937
N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide

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

K781-4937

Molecular Formula

C21H27ClN2O4S (C21 H27 ClN2 O4 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-6-(4-methoxybenzenesulfonamido)hexanamide

SMILES

COc(cc1)ccc1S(NCCCCCC(NCCc(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C21H27ClN2O4S/c1-28-19-10-12-20(13-11-19)29(26,27)24-15-4-2-3-5-21(25)23-16-14-17-6-8-18(22)9-7-17/h6-13,24H,2-5,14-16H2,1H3,(H,23,25)

InChI Key

AOUHXQORRYSBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.55

Polar Surface Area

73.695

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K781-4937 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 K781-4937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-4937?
Check Price and Availability of K781-4937, 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 K781-4937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-4937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-4937
  • 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 K781-4937 available by request