C289-0754 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

C289-0754 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
C289-0754 Screening compound: 3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0754
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)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

C289-0754

Molecular Formula

C21H20FN5O4 (C21 H20 FN5 O4)

Compound Name

3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-[3-(2-fluorophenyl)-124-oxadiazol-5-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1C(CCc1nc(-c(cccc2)c2F)no1)=O)=O

InChI

InChI=1S/C21H20FN5O4/c22-18-4-2-1-3-17(18)21-23-19(31-24-21)9-10-20(28)26-13-11-25(12-14-26)15-5-7-16(8-6-15)27(29)30/h1-8H,9-14H2

InChI Key

BMZZIORRMNLNEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.87

Polar Surface Area

84.344

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C289-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0754?
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What is the minimum amount of C289-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0754
  • 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 C289-0754 available by request