6917-0396 Screening compound: 2-ethoxy-6-(4-methylphenyl)-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine

6917-0396 Screening compound: 2-ethoxy-6-(4-methylphenyl)-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
6917-0396 Screening compound: 2-ethoxy-6-(4-methylphenyl)-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6917-0396
2-ethoxy-6-(4-methylphenyl)-3-[5-(pyridin-3-yl)-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

6917-0396

Molecular Formula

C21H18N4O2 (C21 H18 N4 O2)

Compound Name

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

IUPAC name

2-ethoxy-6-(4-methylphenyl)-3-[5-(pyridin-3-yl)-124-oxadiazol-3-yl]pyridine

SMILES

CCOc(nc(cc1)-c2ccc(C)cc2)c1-c1noc(-c2cnccc2)n1

InChI

InChI=1S/C21H18N4O2/c1-3-26-21-17(10-11-18(23-21)15-8-6-14(2)7-9-15)19-24-20(27-25-19)16-5-4-12-22-13-16/h4-13H,3H2,1-2H3

InChI Key

CSELJHAYWAHAPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04197340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.059

Distribution Coefficient, logD

5.055

Water Solubility, LogSw

-4.35

Polar Surface Area

57.387

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6917-0396 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6917-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6917-0396?
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What is the minimum amount of 6917-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6917-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6917-0396
  • 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 6917-0396 available by request