4456-2349 Screening compound: N-[(1E)-3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,6-trimethylbenzene-1-sulfonamide

4456-2349 Screening compound: N-[(1E)-3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,6-trimethylbenzene-1-sulfonamide
4456-2349 Screening compound: N-[(1E)-3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,6-trimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4456-2349
N-[(1E)-3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,6-trimethylbenzene-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

4456-2349

Molecular Formula

C15H14ClNO3S (C15 H14 ClNO3 S)

Compound Name

N-[(1E)-3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene]-2,4,6-trimethylbenzene-1-sulfonamide

IUPAC name

N-[(1E)-3-chloro-4-oxocyclohexa-25-dien-1-ylidene]-246-trimethylbenzene-1-sulfonamide

SMILES

Cc(cc1C)cc(C)c1S(/N=C(\C=CC1=O)/C=C1Cl)(=O)=O

InChI

InChI=1S/C15H14ClNO3S/c1-9-6-10(2)15(11(3)7-9)21(19,20)17-12-4-5-14(18)13(16)8-12/h4-8H,1-3H3

InChI Key

BBRMKSTVHDPHOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03193024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.934

Distribution Coefficient, logD

3.934

Water Solubility, LogSw

-4.22

Polar Surface Area

53.364

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4456-2349 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 4456-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4456-2349?
Check Price and Availability of 4456-2349, 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 4456-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4456-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4456-2349
  • 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 4456-2349 available by request