0590-0466 Screening compound: 6'-bromo-6-chloro-4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one

0590-0466 Screening compound: 6'-bromo-6-chloro-4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one
0590-0466 Screening compound: 6'-bromo-6-chloro-4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0466
6'-bromo-6-chloro-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

0590-0466

Molecular Formula

C30H18BrClN2O (C30 H18 BrClN2 O)

Compound Name

6'-bromo-6-chloro-4,4'-diphenyl-1',2'-dihydro-[2,3'-biquinolin]-2'-one

IUPAC name

6'-bromo-6-chloro-44'-diphenyl-1'2'-dihydro-[23'-biquinolin]-2'-one

SMILES

O=C1Nc(ccc(Br)c2)c2C(c2ccccc2)=C1c(cc(-c1ccccc1)c1c2)nc1ccc2Cl

InChI

InChI=1S/C30H18BrClN2O/c31-20-11-13-26-24(15-20)28(19-9-5-2-6-10-19)29(30(35)34-26)27-17-22(18-7-3-1-4-8-18)23-16-21(32)12-14-25(23)33-27/h1-17H,(H,34,35)

InChI Key

UPWVUUNFERCBKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00186597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

537.84

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

8.785

Distribution Coefficient, logD

8.780

Water Solubility, LogSw

-6.71

Polar Surface Area

32.632

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0590-0466 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0590-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0466?
Check Price and Availability of 0590-0466, 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 0590-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0466
  • 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 0590-0466 available by request