8622-0770 Screening compound: 3-{5-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine

8622-0770 Screening compound: 3-{5-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine
8622-0770 Screening compound: 3-{5-[(2,3,5-trimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8622-0770
3-{5-[(2,3,5-trimethylphenoxy)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

8622-0770

Molecular Formula

C17H17N3O2 (C17 H17 N3 O2)

Compound Name

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

IUPAC name

3-{5-[(235-trimethylphenoxy)methyl]-124-oxadiazol-3-yl}pyridine

SMILES

Cc1cc(OCc2nc(-c3cnccc3)no2)c(C)c(C)c1

InChI

InChI=1S/C17H17N3O2/c1-11-7-12(2)13(3)15(8-11)21-10-16-19-17(20-22-16)14-5-4-6-18-9-14/h4-9H,10H2,1-3H3

InChI Key

JUWNYORFKADCPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03717745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.34

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

3.990

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.87

Polar Surface Area

48.413

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

8622-0770 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8622-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8622-0770?
Check Price and Availability of 8622-0770, 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 8622-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8622-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8622-0770
  • 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 8622-0770 available by request