2085-0026 Screening compound: 4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one

2085-0026 Screening compound: 4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one
2085-0026 Screening compound: 4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2085-0026
4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-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

2085-0026

Molecular Formula

C30H20N2O (C30 H20 N2 O)

Compound Name

4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one

IUPAC name

44'-diphenyl-1'2'-dihydro-[23'-biquinolin]-2'-one

SMILES

O=C1Nc(cccc2)c2C(c2ccccc2)=C1c1nc2ccccc2c(-c2ccccc2)c1

InChI

InChI=1S/C30H20N2O/c33-30-29(28(21-13-5-2-6-14-21)23-16-8-10-18-26(23)32-30)27-19-24(20-11-3-1-4-12-20)22-15-7-9-17-25(22)31-27/h1-19H,(H,32,33)

InChI Key

RALLAEDSTHXJMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

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

7.025

Distribution Coefficient, logD

7.025

Water Solubility, LogSw

-6.39

Polar Surface Area

32.632

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2085-0026 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2085-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2085-0026?
Check Price and Availability of 2085-0026, 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 2085-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2085-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2085-0026
  • 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 2085-0026 available by request