Y020-5589 Screening compound: 4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole

Y020-5589 Screening compound: 4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole
Y020-5589 Screening compound: 4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5589
4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole

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

Y020-5589

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-1,2,4-triazole

IUPAC name

4-ethyl-3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-4H-124-triazole

SMILES

CCn1c(SCc(cc2)ccc2[N+]([O-])=O)nnc1-c1ccccc1

InChI

InChI=1S/C17H16N4O2S/c1-2-20-16(14-6-4-3-5-7-14)18-19-17(20)24-12-13-8-10-15(11-9-13)21(22)23/h3-11H,2,12H2,1H3

InChI Key

KOAMGAVCGIYGGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-4.01

Polar Surface Area

57.347

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y020-5589 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-5589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5589?
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What is the minimum amount of Y020-5589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5589
  • 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 Y020-5589 available by request