C301-4251 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

C301-4251 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine
C301-4251 Screening compound: 1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4251
1-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]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

C301-4251

Molecular Formula

C21H19F3N4O3 (C21 H19 F3 N4 O3)

Compound Name

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

IUPAC name

1-{[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

FC(c1cc(N2CCN(Cc3nnc(-c(cc4)cc5c4OCO5)o3)CC2)ccc1)(F)F

InChI

InChI=1S/C21H19F3N4O3/c22-21(23,24)15-2-1-3-16(11-15)28-8-6-27(7-9-28)12-19-25-26-20(31-19)14-4-5-17-18(10-14)30-13-29-17/h1-5,10-11H,6-9,12-13H2

InChI Key

ZNPARZBIIOGREU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743493

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

432.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.68

Polar Surface Area

54.528

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-4251 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-4251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4251?
Check Price and Availability of C301-4251, 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 C301-4251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4251
  • 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 C301-4251 available by request