4813-2282 Screening compound: 5-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

4813-2282 Screening compound: 5-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
4813-2282 Screening compound: 5-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4813-2282
5-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-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

4813-2282

Molecular Formula

C16H13ClN2O (C16 H13 ClN2 O)

Compound Name

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

IUPAC name

5-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)-124-oxadiazole

SMILES

Cc1cccc(-c2noc(Cc(cc3)ccc3Cl)n2)c1

InChI

InChI=1S/C16H13ClN2O/c1-11-3-2-4-13(9-11)16-18-15(20-19-16)10-12-5-7-14(17)8-6-12/h2-9H,10H2,1H3

InChI Key

KOPQASWKMJJGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03884918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.186

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.71

Polar Surface Area

31.310

Acid Dissociation Constant (pKa)

27.89

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4813-2282 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4813-2282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4813-2282?
Check Price and Availability of 4813-2282, 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 4813-2282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4813-2282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4813-2282
  • 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 4813-2282 available by request