8018-5768 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-(1H-1,2,3,4-tetrazol-5-yl)propanamide

8018-5768 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-(1H-1,2,3,4-tetrazol-5-yl)propanamide
8018-5768 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-(1H-1,2,3,4-tetrazol-5-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5768
3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-(1H-1,2,3,4-tetrazol-5-yl)propanamide

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

8018-5768

Molecular Formula

C11H10N8O2 (C11 H10 N8 O2)

Compound Name

3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]-N-(1H-1,2,3,4-tetrazol-5-yl)propanamide

IUPAC name

3-[3-(pyridin-2-yl)-124-oxadiazol-5-yl]-N-(1H-1234-tetrazol-5-yl)propanamide

SMILES

O=C(CCc1nc(-c2ncccc2)no1)Nc1nnn[nH]1

InChI

InChI=1S/C11H10N8O2/c20-8(13-11-15-18-19-16-11)4-5-9-14-10(17-21-9)7-3-1-2-6-12-7/h1-3,6H,4-5H2,(H2,13,15,16,18,19,20)

InChI Key

UYVVKXDQVMBYPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07627308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.459

Distribution Coefficient, logD

-3.588

Water Solubility, LogSw

-1.56

Polar Surface Area

115.026

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-5768 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-5768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5768?
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What is the minimum amount of 8018-5768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5768
  • 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 8018-5768 available by request