8011-5409 Screening compound: 4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzene-1-sulfonamide

8011-5409 Screening compound: 4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzene-1-sulfonamide
8011-5409 Screening compound: 4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5409
4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)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

8011-5409

Molecular Formula

C16H15ClF3N3O4S (C16 H15 ClF3 N3 O4 S)

Compound Name

4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)benzene-1-sulfonamide

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1NCCCNS(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C16H15ClF3N3O4S/c17-12-3-5-13(6-4-12)28(26,27)22-9-1-8-21-14-7-2-11(16(18,19)20)10-15(14)23(24)25/h2-7,10,21-22H,1,8-9H2

InChI Key

OEUGIIQAUGMPQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.534

Water Solubility, LogSw

-4.82

Polar Surface Area

84.569

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8011-5409 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 8011-5409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5409?
Check Price and Availability of 8011-5409, 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 8011-5409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5409
  • 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 8011-5409 available by request