C301-5647 Screening compound: [(3-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](2-phenylethyl)amine

C301-5647 Screening compound: [(3-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](2-phenylethyl)amine
C301-5647 Screening compound: [(3-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](2-phenylethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5647
[(3-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](2-phenylethyl)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

C301-5647

Molecular Formula

C23H20ClN3O (C23 H20 ClN3 O)

Compound Name

[(3-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl](2-phenylethyl)amine

IUPAC name

[(3-chlorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl](2-phenylethyl)amine

SMILES

Clc1cc(C(c2nnc(-c3ccccc3)o2)NCCc2ccccc2)ccc1

InChI

InChI=1S/C23H20ClN3O/c24-20-13-7-12-19(16-20)21(25-15-14-17-8-3-1-4-9-17)23-27-26-22(28-23)18-10-5-2-6-11-18/h1-13,16,21,25H,14-15H2/t21-/m1/s1

InChI Key

QCHPWUHWZNMORJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14744071

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

389.88

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

4.729

Distribution Coefficient, logD

4.729

Water Solubility, LogSw

-4.99

Polar Surface Area

41.233

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C301-5647 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

Aurora A-B Kinases Targeted Library (9426 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 C301-5647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5647?
Check Price and Availability of C301-5647, 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 C301-5647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5647
  • 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 C301-5647 available by request