4552-0116 Screening compound: 5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

4552-0116 Screening compound: 5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione
4552-0116 Screening compound: 5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-0116
5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

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

4552-0116

Molecular Formula

C10H5ClN2OS2 (C10 H5 ClN2 OS2)

Compound Name

5-(3-chloro-1-benzothiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione

IUPAC name

5-(3-chloro-1-benzothiophen-2-yl)-23-dihydro-134-oxadiazole-2-thione

SMILES

S=C1OC(c(sc2c3cccc2)c3Cl)=NN1

InChI

InChI=1S/C10H5ClN2OS2/c11-7-5-3-1-2-4-6(5)16-8(7)9-12-13-10(15)14-9/h1-4H,(H,13,15)

InChI Key

MXBSTXKKPYUUAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03027974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

-2.018

Water Solubility, LogSw

-4.54

Polar Surface Area

34.058

Acid Dissociation Constant (pKa)

1.66

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4552-0116 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4552-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-0116?
Check Price and Availability of 4552-0116, 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 4552-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-0116
  • 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 4552-0116 available by request