D030-0081 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

D030-0081 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide
D030-0081 Screening compound: 4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0081
4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}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

D030-0081

Molecular Formula

C22H23ClN2O3S (C22 H23 ClN2 O3 S)

Compound Name

4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

IUPAC name

4-chloro-N-{2-[(4-ethoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1NC(CNS(c(cc1)ccc1Cl)(=O)=O)c1ccccc1

InChI

InChI=1S/C22H23ClN2O3S/c1-2-28-20-12-10-19(11-13-20)25-22(17-6-4-3-5-7-17)16-24-29(26,27)21-14-8-18(23)9-15-21/h3-15,22,24-25H,2,16H2,1H3/t22-/m0/s1

InChI Key

MGLGSAPUSSYHFS-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05998623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.549

Distribution Coefficient, logD

5.549

Water Solubility, LogSw

-6.14

Polar Surface Area

58.985

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D030-0081 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 D030-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0081?
Check Price and Availability of D030-0081, 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 D030-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0081
  • 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 D030-0081 available by request