K691-0142 Screening compound: N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

K691-0142 Screening compound: N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide
K691-0142 Screening compound: N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K691-0142
N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]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

K691-0142

Molecular Formula

C23H22N2O4S4 (C23 H22 N2 O4 S4)

Compound Name

N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

IUPAC name

N-[(thiophen-2-yl)methyl]-4-[(4-{[(thiophen-2-yl)methyl]sulfamoyl}phenyl)methyl]benzene-1-sulfonamide

SMILES

O=S(c1ccc(Cc(cc2)ccc2S(NCc2cccs2)(=O)=O)cc1)(NCc1cccs1)=O

InChI

InChI=1S/C23H22N2O4S4/c26-32(27,24-16-20-3-1-13-30-20)22-9-5-18(6-10-22)15-19-7-11-23(12-8-19)33(28,29)25-17-21-4-2-14-31-21/h1-14,24-25H,15-17H2

InChI Key

KAAKINHUSDYOAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.902

Distribution Coefficient, logD

4.901

Water Solubility, LogSw

-4.91

Polar Surface Area

85.520

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K691-0142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K691-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K691-0142?
Check Price and Availability of K691-0142, 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 K691-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K691-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K691-0142
  • 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 K691-0142 available by request