7489-1879 Screening compound: 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol

7489-1879 Screening compound: 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol
7489-1879 Screening compound: 5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-1879
5-[(4-chlorophenyl)methyl]-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

7489-1879

Molecular Formula

C9H7ClN2OS (C9 H7 ClN2 OS)

Compound Name

5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole-2-thiol

IUPAC name

5-[(4-chlorophenyl)methyl]-134-oxadiazole-2-thiol

SMILES

Sc1nnc(Cc(cc2)ccc2Cl)o1

InChI

InChI=1S/C9H7ClN2OS/c10-7-3-1-6(2-4-7)5-8-11-12-9(14)13-8/h1-4H,5H2,(H,12,14)

InChI Key

LOBIRZKDPDHUGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06003754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.278

Distribution Coefficient, logD

-0.873

Water Solubility, LogSw

-2.76

Polar Surface Area

29.295

Acid Dissociation Constant (pKa)

4.25

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7489-1879 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7489-1879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-1879?
Check Price and Availability of 7489-1879, 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 7489-1879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-1879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-1879
  • 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 7489-1879 available by request