5468-2732 Screening compound: 1-[3-({2-METHYLBENZO[H]QUINOLIN-4-YL}AMINO)PHENYL]ETHAN-1-ONE

5468-2732 Screening compound: 1-[3-({2-METHYLBENZO[H]QUINOLIN-4-YL}AMINO)PHENYL]ETHAN-1-ONE
5468-2732 Screening compound: 1-[3-({2-METHYLBENZO[H]QUINOLIN-4-YL}AMINO)PHENYL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-2732
1-[3-({2-METHYLBENZO[H]QUINOLIN-4-YL}AMINO)PHENYL]ETHAN-1-ONE

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

5468-2732

Molecular Formula

C22H18N2O (C22 H18 N2 O)

Compound Name

1-[3-({2-METHYLBENZO[H]QUINOLIN-4-YL}AMINO)PHENYL]ETHAN-1-ONE

IUPAC name

n/a

SMILES

CC(c1cc(Nc2cc(C)nc3c(cccc4)c4ccc23)ccc1)=O

InChI

InChI=1S/C22H18N2O/c1-14-12-21(24-18-8-5-7-17(13-18)15(2)25)20-11-10-16-6-3-4-9-19(16)22(20)23-14/h3-13H,1-2H3,(H,23,24)

InChI Key

DGRBGMNQWHCTBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03230777

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.408

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-6.88

Polar Surface Area

30.916

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

8.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

5468-2732 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5468-2732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-2732?
Check Price and Availability of 5468-2732, 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 5468-2732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-2732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-2732
  • 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 5468-2732 available by request