4444-0007 Screening compound: N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-1-sulfonamide

4444-0007 Screening compound: N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-1-sulfonamide
4444-0007 Screening compound: N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4444-0007
N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-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

4444-0007

Molecular Formula

C20H27N3O2S (C20 H27 N3 O2 S)

Compound Name

N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{2-[(E)-{[4-(diethylamino)phenyl]methylidene}amino]ethyl}-4-methylbenzene-1-sulfonamide

SMILES

CCN(CC)c1ccc(/C=N/CCNS(c2ccc(C)cc2)(=O)=O)cc1

InChI

InChI=1S/C20H27N3O2S/c1-4-23(5-2)19-10-8-18(9-11-19)16-21-14-15-22-26(24,25)20-12-6-17(3)7-13-20/h6-13,16,22H,4-5,14-15H2,1-3H3

InChI Key

KEZVBAOFYQGACH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02973481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-3.93

Polar Surface Area

53.349

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

5.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4444-0007 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4444-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4444-0007?
Check Price and Availability of 4444-0007, 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 4444-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4444-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4444-0007
  • 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 4444-0007 available by request