8019-9095 Screening compound: 5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

8019-9095 Screening compound: 5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
8019-9095 Screening compound: 5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9095
5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

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

8019-9095

Molecular Formula

C16H13N5OS2 (C16 H13 N5 OS2)

Compound Name

5-{3-aminothieno[2,3-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

5-{3-aminothieno[23-b]pyridin-2-yl}-4-(2-methoxyphenyl)-4H-124-triazole-3-thiol

SMILES

COc(cccc1)c1-n1c(S)nnc1-c(sc1ncccc11)c1N

InChI

InChI=1S/C16H13N5OS2/c1-22-11-7-3-2-6-10(11)21-14(19-20-16(21)23)13-12(17)9-5-4-8-18-15(9)24-13/h2-8H,17H2,1H3,(H,20,23)

InChI Key

FDVFQWULGIADJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.534

Distribution Coefficient, logD

1.585

Water Solubility, LogSw

-2.49

Polar Surface Area

60.326

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8019-9095 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8019-9095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9095?
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What is the minimum amount of 8019-9095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9095
  • 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 8019-9095 available by request