4534-4389 Screening compound: 4-{5-[(naphthalen-1-yloxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

4534-4389 Screening compound: 4-{5-[(naphthalen-1-yloxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
4534-4389 Screening compound: 4-{5-[(naphthalen-1-yloxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-4389
4-{5-[(naphthalen-1-yloxy)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

4534-4389

Molecular Formula

C18H13N3O2 (C18 H13 N3 O2)

Compound Name

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

IUPAC name

4-{5-[(naphthalen-1-yloxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

C(c1nc(-c2ccncc2)no1)Oc1cccc2ccccc12

InChI

InChI=1S/C18H13N3O2/c1-2-6-15-13(4-1)5-3-7-16(15)22-12-17-20-18(21-23-17)14-8-10-19-11-9-14/h1-11H,12H2

InChI Key

ARYMGNBODQWNST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01804888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

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

4.283

Distribution Coefficient, logD

4.283

Water Solubility, LogSw

-4.38

Polar Surface Area

48.052

Acid Dissociation Constant (pKa)

30.29

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

4534-4389 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4534-4389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-4389?
Check Price and Availability of 4534-4389, 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 4534-4389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-4389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-4389
  • 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 4534-4389 available by request