C301-2889 Screening compound: 5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C301-2889 Screening compound: 5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
C301-2889 Screening compound: 5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2889
5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-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

C301-2889

Molecular Formula

C18H16ClN3O2 (C18 H16 ClN3 O2)

Compound Name

5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(3-chlorophenyl)methyl]-N-[(4-methylphenyl)methyl]-134-oxadiazole-2-carboxamide

SMILES

Cc1ccc(CNC(c2nnc(Cc3cccc(Cl)c3)o2)=O)cc1

InChI

InChI=1S/C18H16ClN3O2/c1-12-5-7-13(8-6-12)11-20-17(23)18-22-21-16(24-18)10-14-3-2-4-15(19)9-14/h2-9H,10-11H2,1H3,(H,20,23)

InChI Key

ZPHCINZVSZKJHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.74

Polar Surface Area

54.833

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C301-2889 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-2889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2889?
Check Price and Availability of C301-2889, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C301-2889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2889
  • 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 C301-2889 available by request