C301-2981 Screening compound: 5-(2-chlorobenzyl)-N-(3-methoxybenzyl)-1,3,4-oxadiazole-2-carboxamide

C301-2981 Screening compound: 5-(2-chlorobenzyl)-N-(3-methoxybenzyl)-1,3,4-oxadiazole-2-carboxamide
C301-2981 Screening compound: 5-(2-chlorobenzyl)-N-(3-methoxybenzyl)-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2981
5-(2-chlorobenzyl)-N-(3-methoxybenzyl)-1,3,4-oxadiazole-2-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

C301-2981

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

5-(2-chlorobenzyl)-N-(3-methoxybenzyl)-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-134-oxadiazole-2-carboxamide

SMILES

COc1cccc(CNC(c2nnc(Cc(cccc3)c3Cl)o2)=O)c1

InChI

InChI=1S/C18H16ClN3O3/c1-24-14-7-4-5-12(9-14)11-20-17(23)18-22-21-16(25-18)10-13-6-2-3-8-15(13)19/h2-9H,10-11H2,1H3,(H,20,23)

InChI Key

CFTRKUFLBIIOQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.219

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.50

Polar Surface Area

62.377

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

C301-2981 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-2981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2981?
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What is the minimum amount of C301-2981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2981
  • 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 C301-2981 available by request