5867-3883 Screening compound: ethyl 2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

5867-3883 Screening compound: ethyl 2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
5867-3883 Screening compound: ethyl 2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-3883
ethyl 2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

5867-3883

Molecular Formula

C19H20N4O3S2 (C19 H20 N4 O3 S2)

Compound Name

ethyl 2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(2-{[124]triazolo[43-a]pyridin-3-ylsulfanyl}acetamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc3n2cccc3)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H20N4O3S2/c1-2-26-18(25)16-12-7-3-4-8-13(12)28-17(16)20-15(24)11-27-19-22-21-14-9-5-6-10-23(14)19/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,20,24)

InChI Key

ZOCJEKZSSORRIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.048

Distribution Coefficient, logD

1.024

Water Solubility, LogSw

-3.35

Polar Surface Area

65.777

Acid Dissociation Constant (pKa)

5.38

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

5867-3883 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5867-3883 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-3883?
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What is the minimum amount of 5867-3883 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-3883
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-3883
  • 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 5867-3883 available by request