5871-1444 Screening compound: 5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

5871-1444 Screening compound: 5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
5871-1444 Screening compound: 5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-1444
5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

5871-1444

Molecular Formula

C28H16ClN3O3 (C28 H16 ClN3 O3)

Compound Name

5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(4-chlorophenoxy)-2-[3-(quinoxalin-2-yl)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(ccc(Oc(cc1)ccc1Cl)c1)c1C1=O)N1c1cc(-c2nc3ccccc3nc2)ccc1

InChI

InChI=1S/C28H16ClN3O3/c29-18-8-10-20(11-9-18)35-21-12-13-22-23(15-21)28(34)32(27(22)33)19-5-3-4-17(14-19)26-16-30-24-6-1-2-7-25(24)31-26/h1-16H

InChI Key

OYEYULXOVRNDKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03631460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.856

Distribution Coefficient, logD

6.856

Water Solubility, LogSw

-6.57

Polar Surface Area

52.811

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5871-1444 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 5871-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-1444?
Check Price and Availability of 5871-1444, 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 5871-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-1444
  • 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 5871-1444 available by request