D160-0053 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-(4-fluorophenoxy)propanamide

D160-0053 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-(4-fluorophenoxy)propanamide
D160-0053 Screening compound: N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-(4-fluorophenoxy)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D160-0053
N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-(4-fluorophenoxy)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

D160-0053

Molecular Formula

C13H14FN3O3 (C13 H14 FN3 O3)

Compound Name

N-(4-ethyl-1,2,5-oxadiazol-3-yl)-2-(4-fluorophenoxy)propanamide

IUPAC name

N-(4-ethyl-125-oxadiazol-3-yl)-2-(4-fluorophenoxy)propanamide

SMILES

CCc1nonc1NC(C(C)Oc(cc1)ccc1F)=O

InChI

InChI=1S/C13H14FN3O3/c1-3-11-12(17-20-16-11)15-13(18)8(2)19-10-6-4-9(14)5-7-10/h4-8H,3H2,1-2H3,(H,15,17,18)/t8-/m0/s1

InChI Key

XCRKXIJIIIFZLJ-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD06648265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.27

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

2.769

Distribution Coefficient, logD

2.762

Water Solubility, LogSw

-3.09

Polar Surface Area

67.642

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D160-0053 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D160-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D160-0053?
Check Price and Availability of D160-0053, 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 D160-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D160-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D160-0053
  • 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 D160-0053 available by request