C289-0877 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

C289-0877 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one
C289-0877 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0877
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

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

C289-0877

Molecular Formula

C22H20F4N4O2 (C22 H20 F4 N4 O2)

Compound Name

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

IUPAC name

3-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one

SMILES

O=C(CCc1nc(-c(cccc2)c2F)no1)N(CC1)CCN1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H20F4N4O2/c23-18-7-2-1-6-17(18)21-27-19(32-28-21)8-9-20(31)30-12-10-29(11-13-30)16-5-3-4-15(14-16)22(24,25)26/h1-7,14H,8-13H2

InChI Key

ZDKCMHWZJVNPHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.35

Polar Surface Area

50.963

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C289-0877 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C289-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0877?
Check Price and Availability of C289-0877, 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 C289-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0877
  • 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 C289-0877 available by request