8017-7785 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

8017-7785 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
8017-7785 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7785
3-(2H-1,3-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-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

8017-7785

Molecular Formula

C17H14N4O4 (C17 H14 N4 O4)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(2H-13-benzodioxol-5-yl)-N-[2-(pyridin-2-yl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(-c(cc2)cc3c2OCO3)no1)NCCc1ncccc1

InChI

InChI=1S/C17H14N4O4/c22-16(19-8-6-12-3-1-2-7-18-12)17-20-15(21-25-17)11-4-5-13-14(9-11)24-10-23-13/h1-5,7,9H,6,8,10H2,(H,19,22)

InChI Key

GOPFNNOZCQLSRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.204

Distribution Coefficient, logD

2.204

Water Solubility, LogSw

-2.87

Polar Surface Area

82.829

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8017-7785 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-7785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7785?
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What is the minimum amount of 8017-7785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7785
  • 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 8017-7785 available by request