4813-1565 Screening compound: 3-(3-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole

4813-1565 Screening compound: 3-(3-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole
4813-1565 Screening compound: 3-(3-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-1565
3-(3-nitrophenyl)-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

4813-1565

Molecular Formula

C12H7N3O3S (C12 H7 N3 O3 S)

Compound Name

3-(3-nitrophenyl)-5-(thiophen-2-yl)-1,2,4-oxadiazole

IUPAC name

3-(3-nitrophenyl)-5-(thiophen-2-yl)-124-oxadiazole

SMILES

[O-][N+](c1cccc(-c2noc(-c3cccs3)n2)c1)=O

InChI

InChI=1S/C12H7N3O3S/c16-15(17)9-4-1-3-8(7-9)11-13-12(18-14-11)10-5-2-6-19-10/h1-7H

InChI Key

SQURSOAJNRVVBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00116234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.20

Polar Surface Area

66.044

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4813-1565 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 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 4813-1565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-1565?
Check Price and Availability of 4813-1565, 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 4813-1565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-1565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-1565
  • 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 4813-1565 available by request