C301-5636 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(4-chlorophenyl)ethyl]amine

C301-5636 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(4-chlorophenyl)ethyl]amine
C301-5636 Screening compound: {[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(4-chlorophenyl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5636
{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](4-fluorophenyl)methyl}[2-(4-chlorophenyl)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

C301-5636

Molecular Formula

C23H18Cl2FN3O (C23 H18 Cl2 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Fc1ccc(C(c2nnc(-c(cccc3)c3Cl)o2)NCCc(cc2)ccc2Cl)cc1

InChI

InChI=1S/C23H18Cl2FN3O/c24-17-9-5-15(6-10-17)13-14-27-21(16-7-11-18(26)12-8-16)23-29-28-22(30-23)19-3-1-2-4-20(19)25/h1-12,21,27H,13-14H2/t21-/m1/s1

InChI Key

BWHZLWDRAYGMFV-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14744060

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

442.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.31

Polar Surface Area

41.233

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C301-5636 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 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
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5636?
Check Price and Availability of C301-5636, 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 C301-5636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5636
  • 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 C301-5636 available by request