7199-0855 Screening compound: 3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}oxolan-2-one

7199-0855 Screening compound: 3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}oxolan-2-one
7199-0855 Screening compound: 3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}oxolan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7199-0855
3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}oxolan-2-one

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

7199-0855

Molecular Formula

C12H9ClN2O3S (C12 H9 ClN2 O3 S)

Compound Name

3-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}oxolan-2-one

IUPAC name

3-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl]sulfanyl}oxolan-2-one

SMILES

O=C1OCCC1Sc1nnc(-c(cccc2)c2Cl)o1

InChI

InChI=1S/C12H9ClN2O3S/c13-8-4-2-1-3-7(8)10-14-15-12(18-10)19-9-5-6-17-11(9)16/h1-4,9H,5-6H2/t9-/m0/s1

InChI Key

XVQXYBBCSJQPCL-VIFPVBQESA-N

MDL Number (MFCD)

MFCD06021019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-3.24

Polar Surface Area

52.410

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

7199-0855 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 7199-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7199-0855?
Check Price and Availability of 7199-0855, 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 7199-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7199-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7199-0855
  • 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 7199-0855 available by request