8020-0458 Screening compound: 2-(5-bromonaphthalen-1-yl)-[1,3]oxazolo[4,5-b]pyridine

8020-0458 Screening compound: 2-(5-bromonaphthalen-1-yl)-[1,3]oxazolo[4,5-b]pyridine
8020-0458 Screening compound: 2-(5-bromonaphthalen-1-yl)-[1,3]oxazolo[4,5-b]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0458
2-(5-bromonaphthalen-1-yl)-[1,3]oxazolo[4,5-b]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

8020-0458

Molecular Formula

C16H9BrN2O (C16 H9 BrN2 O)

Compound Name

2-(5-bromonaphthalen-1-yl)-[1,3]oxazolo[4,5-b]pyridine

IUPAC name

2-(5-bromonaphthalen-1-yl)-[13]oxazolo[45-b]pyridine

SMILES

Brc(c1ccc2)cccc1c2-c1nc(nccc2)c2o1

InChI

InChI=1S/C16H9BrN2O/c17-13-7-2-4-10-11(13)5-1-6-12(10)16-19-15-14(20-16)8-3-9-18-15/h1-9H

InChI Key

JIHWLIQPSMLBLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06758785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.72

Polar Surface Area

27.151

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8020-0458 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0458?
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What is the minimum amount of 8020-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0458
  • 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 8020-0458 available by request