D676-1289 Screening compound: 4-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile

D676-1289 Screening compound: 4-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
D676-1289 Screening compound: 4-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-1289
4-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile

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

D676-1289

Molecular Formula

C21H18FN5O2 (C21 H18 FN5 O2)

Compound Name

4-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile

IUPAC name

4-(4-{[5-(4-fluorophenyl)-124-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile

SMILES

N#Cc(cc1)ccc1C(N1CCN(Cc2noc(-c(cc3)ccc3F)n2)CC1)=O

InChI

InChI=1S/C21H18FN5O2/c22-18-7-5-16(6-8-18)20-24-19(25-29-20)14-26-9-11-27(12-10-26)21(28)17-3-1-15(13-23)2-4-17/h1-8H,9-12,14H2

InChI Key

JUWHFAPDUYVUDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.168

Water Solubility, LogSw

-2.42

Polar Surface Area

70.151

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D676-1289 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D676-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-1289?
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What is the minimum amount of D676-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-1289
  • 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 D676-1289 available by request