C301-4798 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2-fluorophenyl)piperazine

C301-4798 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2-fluorophenyl)piperazine
C301-4798 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4798
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-(2-fluorophenyl)piperazine

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

C301-4798

Molecular Formula

C20H19FN4O3 (C20 H19 FN4 O3)

Compound Name

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

IUPAC name

1-{[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}-4-(2-fluorophenyl)piperazine

SMILES

Fc(cccc1)c1N1CCN(Cc2nnc(-c(cc3)cc4c3OCO4)o2)CC1

InChI

InChI=1S/C20H19FN4O3/c21-15-3-1-2-4-16(15)25-9-7-24(8-10-25)12-19-22-23-20(28-19)14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2

InChI Key

CXANXMMQGFJPQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.27

Polar Surface Area

54.227

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C301-4798 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4798?
Check Price and Availability of C301-4798, 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 C301-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4798
  • 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 C301-4798 available by request