6917-0089 Screening compound: 3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine

6917-0089 Screening compound: 3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine
6917-0089 Screening compound: 3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6917-0089
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)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

6917-0089

Molecular Formula

C21H16BrN3O2 (C21 H16 BrN3 O2)

Compound Name

3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine

IUPAC name

3-[5-(2-bromophenyl)-124-oxadiazol-3-yl]-2-methoxy-6-(4-methylphenyl)pyridine

SMILES

Cc(cc1)ccc1-c(cc1)nc(OC)c1-c1noc(-c(cccc2)c2Br)n1

InChI

InChI=1S/C21H16BrN3O2/c1-13-7-9-14(10-8-13)18-12-11-16(20(23-18)26-2)19-24-21(27-25-19)15-5-3-4-6-17(15)22/h3-12H,1-2H3

InChI Key

WJAHXFIMYLARCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04156547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.28

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

6.244

Distribution Coefficient, logD

6.242

Water Solubility, LogSw

-5.76

Polar Surface Area

48.290

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

6917-0089 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Immune system

References: we are preparing a list of scientific research reports with 6917-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6917-0089?
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What is the minimum amount of 6917-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6917-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6917-0089
  • 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 6917-0089 available by request