5742-0853 Screening compound: 6-chloro-4-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-dihydroquinolin-2-one

5742-0853 Screening compound: 6-chloro-4-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-dihydroquinolin-2-one
5742-0853 Screening compound: 6-chloro-4-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-0853
6-chloro-4-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-dihydroquinolin-2-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

5742-0853

Molecular Formula

C24H19ClN2O (C24 H19 ClN2 O)

Compound Name

6-chloro-4-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,2-dihydroquinolin-2-one

IUPAC name

6-chloro-4-phenyl-3-(1234-tetrahydroisoquinolin-2-yl)-12-dihydroquinolin-2-one

SMILES

O=C1Nc(ccc(Cl)c2)c2C(c2ccccc2)=C1N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H19ClN2O/c25-19-10-11-21-20(14-19)22(17-7-2-1-3-8-17)23(24(28)26-21)27-13-12-16-6-4-5-9-18(16)15-27/h1-11,14H,12-13,15H2,(H,26,28)

InChI Key

KKKIYWRGJAGQGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03301965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.862

Distribution Coefficient, logD

5.824

Water Solubility, LogSw

-5.99

Polar Surface Area

27.877

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5742-0853 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5742-0853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-0853?
Check Price and Availability of 5742-0853, 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 5742-0853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-0853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-0853
  • 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 5742-0853 available by request