8001-0389 Screening compound: 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thiol

8001-0389 Screening compound: 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thiol
8001-0389 Screening compound: 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0389
5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-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

8001-0389

Molecular Formula

C9H8N2O2S (C9 H8 N2 O2 S)

Compound Name

5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-thiol

IUPAC name

5-(4-methoxyphenyl)-134-oxadiazole-2-thiol

SMILES

COc(cc1)ccc1-c(o1)nnc1S

InChI

InChI=1S/C9H8N2O2S/c1-12-7-4-2-6(3-5-7)8-10-11-9(14)13-8/h2-5H,1H3,(H,11,14)

InChI Key

UGHZJAXROLHKEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00462871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.747

Distribution Coefficient, logD

-1.698

Water Solubility, LogSw

-1.90

Polar Surface Area

37.173

Acid Dissociation Constant (pKa)

3.95

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8001-0389 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Fragments
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8001-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0389?
Check Price and Availability of 8001-0389, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8001-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0389
  • 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 8001-0389 available by request