F531-0290 Screening compound: 4-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile

F531-0290 Screening compound: 4-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile
F531-0290 Screening compound: 4-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F531-0290
4-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile

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

F531-0290

Molecular Formula

C22H20FN5O2 (C22 H20 FN5 O2)

Compound Name

4-{4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile

IUPAC name

4-{4-[4-(5-ethyl-124-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl}-3-fluorobenzonitrile

SMILES

CCc1nc(-c(cc2)ccc2N(CC2)CCN2C(c(ccc(C#N)c2)c2F)=O)no1

InChI

InChI=1S/C22H20FN5O2/c1-2-20-25-21(26-30-20)16-4-6-17(7-5-16)27-9-11-28(12-10-27)22(29)18-8-3-15(14-24)13-19(18)23/h3-8,13H,2,9-12H2,1H3

InChI Key

DVTOLGIYTMORNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27172772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.14

Polar Surface Area

68.546

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F531-0290 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F531-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F531-0290?
Check Price and Availability of F531-0290, 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 F531-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F531-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F531-0290
  • 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 F531-0290 available by request