D676-1273 Screening compound: 3-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile

D676-1273 Screening compound: 3-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
D676-1273 Screening compound: 3-(4-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D676-1273
3-(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

D676-1273

Molecular Formula

C21H18FN5O2 (C21 H18 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1cccc(C(N2CCN(Cc3noc(-c(cc4)ccc4F)n3)CC2)=O)c1

InChI

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

InChI Key

VDHKLADFJUMQGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595713

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

2.051

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.53

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

References: we are preparing a list of scientific research reports with D676-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D676-1273?
Check Price and Availability of D676-1273, 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 D676-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D676-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D676-1273
  • 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 D676-1273 available by request