K691-0070 Screening compound: N-(2,2-dimethoxyethyl)-4-{4-[(2,2-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

K691-0070 Screening compound: N-(2,2-dimethoxyethyl)-4-{4-[(2,2-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide
K691-0070 Screening compound: N-(2,2-dimethoxyethyl)-4-{4-[(2,2-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0070
N-(2,2-dimethoxyethyl)-4-{4-[(2,2-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

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

K691-0070

Molecular Formula

C20H28N2O9S2 (C20 H28 N2 O9 S2)

Compound Name

N-(2,2-dimethoxyethyl)-4-{4-[(2,2-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

IUPAC name

N-(22-dimethoxyethyl)-4-{4-[(22-dimethoxyethyl)sulfamoyl]phenoxy}benzene-1-sulfonamide

SMILES

COC(CNS(c(cc1)ccc1Oc(cc1)ccc1S(NCC(OC)OC)(=O)=O)(=O)=O)OC

InChI

InChI=1S/C20H28N2O9S2/c1-27-19(28-2)13-21-32(23,24)17-9-5-15(6-10-17)31-16-7-11-18(12-8-16)33(25,26)22-14-20(29-3)30-4/h5-12,19-22H,13-14H2,1-4H3

InChI Key

KDZIPWRZYHLXML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.58

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.517

Distribution Coefficient, logD

1.517

Water Solubility, LogSw

-2.29

Polar Surface Area

122.035

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K691-0070 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 K691-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0070?
Check Price and Availability of K691-0070, 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 K691-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0070
  • 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 K691-0070 available by request