C301-5717 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(3,4-dimethoxyphenyl)ethyl]amine

C301-5717 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(3,4-dimethoxyphenyl)ethyl]amine
C301-5717 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(3,4-dimethoxyphenyl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5717
{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(3,4-dimethoxyphenyl)ethyl]amine

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

C301-5717

Molecular Formula

C25H23ClFN3O3 (C25 H23 ClFN3 O3)

Compound Name

{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(3,4-dimethoxyphenyl)ethyl]amine

IUPAC name

{[5-(2-chlorophenyl)-134-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(34-dimethoxyphenyl)ethyl]amine

SMILES

COc(ccc(CCNC(c1nnc(-c(cccc2)c2Cl)o1)c(cc1)ccc1F)c1)c1OC

InChI

InChI=1S/C25H23ClFN3O3/c1-31-21-12-7-16(15-22(21)32-2)13-14-28-23(17-8-10-18(27)11-9-17)25-30-29-24(33-25)19-5-3-4-6-20(19)26/h3-12,15,23,28H,13-14H2,1-2H3/t23-/m1/s1

InChI Key

OKPDBTJLFYBXNP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14744104

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.42

Polar Surface Area

56.494

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C301-5717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Aurora A-B Kinases Targeted Library (9426 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:
  • Nervous system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5717?
Check Price and Availability of C301-5717, 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 C301-5717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5717
  • 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 C301-5717 available by request