4456-0483 Screening compound: 4-methyl-N-[(1E,4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide

4456-0483 Screening compound: 4-methyl-N-[(1E,4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide
4456-0483 Screening compound: 4-methyl-N-[(1E,4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-0483
4-methyl-N-[(1E,4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-2,5-dien-1-ylidene]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

4456-0483

Molecular Formula

C20H18N2O4S2 (C20 H18 N2 O4 S2)

Compound Name

4-methyl-N-[(1E,4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-2,5-dien-1-ylidene]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[(1E4E)-4-[(4-methylbenzenesulfonyl)imino]cyclohexa-25-dien-1-ylidene]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(/N=C(\C=C1)/C=C/C1=N\S(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C20H18N2O4S2/c1-15-3-11-19(12-4-15)27(23,24)21-17-7-9-18(10-8-17)22-28(25,26)20-13-5-16(2)6-14-20/h3-14H,1-2H3

InChI Key

FVMRYLRNZXRNSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00188108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.065

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-4.72

Polar Surface Area

79.803

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4456-0483 in Drug Discovery

Included in Screening Libraries

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 4456-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-0483?
Check Price and Availability of 4456-0483, 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 4456-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-0483
  • 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 4456-0483 available by request