4335-1062 Screening compound: 3-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

4335-1062 Screening compound: 3-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
4335-1062 Screening compound: 3-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4335-1062
3-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

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

4335-1062

Molecular Formula

C15H13N3O2 (C15 H13 N3 O2)

Compound Name

3-{5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

n/a

SMILES

Cc1cccc(OCc2nc(-c3cnccc3)no2)c1

InChI

InChI=1S/C15H13N3O2/c1-11-4-2-6-13(8-11)19-10-14-17-15(18-20-14)12-5-3-7-16-9-12/h2-9H,10H2,1H3

InChI Key

KSZGDKYQMCHPEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01832220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.018

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-2.68

Polar Surface Area

48.327

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4335-1062 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 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

References: we are preparing a list of scientific research reports with 4335-1062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4335-1062?
Check Price and Availability of 4335-1062, 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 4335-1062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4335-1062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4335-1062
  • 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 4335-1062 available by request