D654-0417 Screening compound: 3-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide

D654-0417 Screening compound: 3-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide
D654-0417 Screening compound: 3-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D654-0417
3-ethoxy-N-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl}benzamide

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

D654-0417

Molecular Formula

C23H18FN3O3 (C23 H18 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cccc(C(Nc(cccc2)c2-c2nc(-c(cc3)ccc3F)no2)=O)c1

InChI

InChI=1S/C23H18FN3O3/c1-2-29-18-7-5-6-16(14-18)22(28)25-20-9-4-3-8-19(20)23-26-21(27-30-23)15-10-12-17(24)13-11-15/h3-14H,2H2,1H3,(H,25,28)

InChI Key

LGDZVZQTLVCMJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18078947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

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

5.441

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.32

Polar Surface Area

61.161

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D654-0417 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D654-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D654-0417?
Check Price and Availability of D654-0417, 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 D654-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D654-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D654-0417
  • 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 D654-0417 available by request