8016-5343 Screening compound: 3-(3-methoxyphenyl)-N~5~-(3-pyridylmethyl)-1,2,4-oxadiazole-5-carboxamide

8016-5343 Screening compound: 3-(3-methoxyphenyl)-N~5~-(3-pyridylmethyl)-1,2,4-oxadiazole-5-carboxamide
8016-5343 Screening compound: 3-(3-methoxyphenyl)-N~5~-(3-pyridylmethyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5343
3-(3-methoxyphenyl)-N~5~-(3-pyridylmethyl)-1,2,4-oxadiazole-5-carboxamide

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

8016-5343

Molecular Formula

C16H14N4O3 (C16 H14 N4 O3)

Compound Name

3-(3-methoxyphenyl)-N~5~-(3-pyridylmethyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(3-methoxyphenyl)-N-[(pyridin-3-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

COc1cccc(-c2noc(C(NCc3cnccc3)=O)n2)c1

InChI

InChI=1S/C16H14N4O3/c1-22-13-6-2-5-12(8-13)14-19-16(23-20-14)15(21)18-10-11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,18,21)

InChI Key

PKYWIBQGWCGEKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.31

Polar Surface Area

73.391

Acid Dissociation Constant (pKa)

12.63

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-5343 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8016-5343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5343?
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What is the minimum amount of 8016-5343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5343
  • 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 8016-5343 available by request