D655-0442 Screening compound: 2-ethyl-N-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}butanamide

D655-0442 Screening compound: 2-ethyl-N-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}butanamide
D655-0442 Screening compound: 2-ethyl-N-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D655-0442
2-ethyl-N-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}butanamide

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

D655-0442

Molecular Formula

C20H20FN3O2 (C20 H20 FN3 O2)

Compound Name

2-ethyl-N-{4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}butanamide

IUPAC name

2-ethyl-N-{4-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]phenyl}butanamide

SMILES

CCC(CC)C(Nc(cc1)ccc1-c1nc(-c(cc2)ccc2F)no1)=O

InChI

InChI=1S/C20H20FN3O2/c1-3-13(4-2)19(25)22-17-11-7-15(8-12-17)20-23-18(24-26-20)14-5-9-16(21)10-6-14/h5-13H,3-4H2,1-2H3,(H,22,25)

InChI Key

YXEIKSWFBJTXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.060

Distribution Coefficient, logD

5.060

Water Solubility, LogSw

-4.60

Polar Surface Area

55.007

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D655-0442 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with D655-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D655-0442?
Check Price and Availability of D655-0442, 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 D655-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D655-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D655-0442
  • 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 D655-0442 available by request