8020-8235 Screening compound: 4-[(4-methylphenyl)sulfanyl]-6-morpholino-2,1,3-benzoxadiazole

8020-8235 Screening compound: 4-[(4-methylphenyl)sulfanyl]-6-morpholino-2,1,3-benzoxadiazole
8020-8235 Screening compound: 4-[(4-methylphenyl)sulfanyl]-6-morpholino-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8235
4-[(4-methylphenyl)sulfanyl]-6-morpholino-2,1,3-benzoxadiazole

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

8020-8235

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

4-[(4-methylphenyl)sulfanyl]-6-morpholino-2,1,3-benzoxadiazole

IUPAC name

4-[(4-methylphenyl)sulfanyl]-6-(morpholin-4-yl)-213-benzoxadiazole

SMILES

Cc(cc1)ccc1Sc1cc(N2CCOCC2)cc2nonc12

InChI

InChI=1S/C17H17N3O2S/c1-12-2-4-14(5-3-12)23-16-11-13(20-6-8-21-9-7-20)10-15-17(16)19-22-18-15/h2-5,10-11H,6-9H2,1H3

InChI Key

KODJQOIKASKOAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31943856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.26

Polar Surface Area

47.418

Acid Dissociation Constant (pKa)

26.96

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8020-8235 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-8235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8235?
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What is the minimum amount of 8020-8235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8235
  • 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 8020-8235 available by request