2166-0281 Screening compound: 4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]benzene-1-sulfonamide

2166-0281 Screening compound: 4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]benzene-1-sulfonamide
2166-0281 Screening compound: 4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2166-0281
4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]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

2166-0281

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]benzene-1-sulfonamide

IUPAC name

4-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]benzene-1-sulfonamide

SMILES

CCN(CC)c1ccc(/C=N/c(cc2)ccc2S(N)(=O)=O)cc1

InChI

InChI=1S/C17H21N3O2S/c1-3-20(4-2)16-9-5-14(6-10-16)13-19-15-7-11-17(12-8-15)23(18,21)22/h5-13H,3-4H2,1-2H3,(H2,18,21,22)

InChI Key

AVSMOWPJTFYPCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00567026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.351

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.62

Polar Surface Area

61.705

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2166-0281 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2166-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2166-0281?
Check Price and Availability of 2166-0281, 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 2166-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2166-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2166-0281
  • 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 2166-0281 available by request