D030-0076 Screening compound: 4-chloro-N-{2-[(4-methoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide

D030-0076 Screening compound: 4-chloro-N-{2-[(4-methoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide
D030-0076 Screening compound: 4-chloro-N-{2-[(4-methoxyphenyl)amino]-2-phenylethyl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D030-0076
4-chloro-N-{2-[(4-methoxyphenyl)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

D030-0076

Molecular Formula

C21H21ClN2O3S (C21 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H21ClN2O3S/c1-27-19-11-9-18(10-12-19)24-21(16-5-3-2-4-6-16)15-23-28(25,26)20-13-7-17(22)8-14-20/h2-14,21,23-24H,15H2,1H3/t21-/m0/s1

InChI Key

JTMQJZGWBVLXHN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02583035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-5.83

Polar Surface Area

59.405

Acid Dissociation Constant (pKa)

11.24

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D030-0076 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Glucocorticoid receptors Library (4806 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D030-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D030-0076?
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What is the minimum amount of D030-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D030-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D030-0076
  • 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 D030-0076 available by request