8018-8172 Screening compound: 3-(2-chloro-3-pyridyl)-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

8018-8172 Screening compound: 3-(2-chloro-3-pyridyl)-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
8018-8172 Screening compound: 3-(2-chloro-3-pyridyl)-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8172
3-(2-chloro-3-pyridyl)-N~5~-[3-(1H-imidazol-1-yl)propyl]-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

8018-8172

Molecular Formula

C14H13ClN6O2 (C14 H13 ClN6 O2)

Compound Name

3-(2-chloro-3-pyridyl)-N~5~-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-(2-chloropyridin-3-yl)-N-[3-(1H-imidazol-1-yl)propyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(-c2cccnc2Cl)no1)NCCCn1cncc1

InChI

InChI=1S/C14H13ClN6O2/c15-11-10(3-1-4-17-11)12-19-14(23-20-12)13(22)18-5-2-7-21-8-6-16-9-21/h1,3-4,6,8-9H,2,5,7H2,(H,18,22)

InChI Key

GQDCHHIHGFUQHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.629

Distribution Coefficient, logD

0.387

Water Solubility, LogSw

-2.45

Polar Surface Area

78.656

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

8018-8172 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8018-8172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8172?
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What is the minimum amount of 8018-8172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8172
  • 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 8018-8172 available by request