4813-1562 Screening compound: 3-(4-METHYLPHENYL)-5-(THIOPHEN-2-YL)-1,2,4-OXADIAZOLE

4813-1562 Screening compound: 3-(4-METHYLPHENYL)-5-(THIOPHEN-2-YL)-1,2,4-OXADIAZOLE
4813-1562 Screening compound: 3-(4-METHYLPHENYL)-5-(THIOPHEN-2-YL)-1,2,4-OXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-1562
3-(4-METHYLPHENYL)-5-(THIOPHEN-2-YL)-1,2,4-OXADIAZOLE

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

4813-1562

Molecular Formula

C13H10N2OS (C13 H10 N2 OS)

Compound Name

3-(4-METHYLPHENYL)-5-(THIOPHEN-2-YL)-1,2,4-OXADIAZOLE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1-c1noc(-c2cccs2)n1

InChI

InChI=1S/C13H10N2OS/c1-9-4-6-10(7-5-9)12-14-13(16-15-12)11-3-2-8-17-11/h2-8H,1H3

InChI Key

ZBIZYSIIJRBDSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01121346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.417

Distribution Coefficient, logD

4.417

Water Solubility, LogSw

-4.37

Polar Surface Area

32.663

Acid Dissociation Constant (pKa)

27.95

Base Dissociation Constant (pKb)

-4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

4813-1562 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4813-1562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-1562?
Check Price and Availability of 4813-1562, 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 4813-1562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-1562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-1562
  • 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 4813-1562 available by request