D514-0059 Screening compound: 2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide

D514-0059 Screening compound: 2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide
D514-0059 Screening compound: 2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D514-0059
2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-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

D514-0059

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propanamide

IUPAC name

2-(2-chlorophenoxy)-N-[5-(3-methylphenyl)-124-oxadiazol-3-yl]propanamide

SMILES

CC(C(Nc1noc(-c2cc(C)ccc2)n1)=O)Oc(cccc1)c1Cl

InChI

InChI=1S/C18H16ClN3O3/c1-11-6-5-7-13(10-11)17-21-18(22-25-17)20-16(23)12(2)24-15-9-4-3-8-14(15)19/h3-10,12H,1-2H3,(H,20,22,23)/t12-/m0/s1

InChI Key

IYUHAKQIUHTKRS-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD18077923

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.696

Distribution Coefficient, logD

4.695

Water Solubility, LogSw

-4.91

Polar Surface Area

63.017

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D514-0059 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D514-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D514-0059?
Check Price and Availability of D514-0059, 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 D514-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D514-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D514-0059
  • 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 D514-0059 available by request