5871-1447 Screening compound: 5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

5871-1447 Screening compound: 5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
5871-1447 Screening compound: 5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-1447
5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-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

5871-1447

Molecular Formula

C20H12ClNO4 (C20 H12 ClNO4)

Compound Name

5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-(4-chlorophenoxy)-2-(4-hydroxyphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

Oc(cc1)ccc1N(C(c(cc1)c2cc1Oc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C20H12ClNO4/c21-12-1-7-15(8-2-12)26-16-9-10-17-18(11-16)20(25)22(19(17)24)13-3-5-14(23)6-4-13/h1-11,23H

InChI Key

CKBRGUJEWMUFGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03631463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.61

Polar Surface Area

53.245

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5871-1447 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5871-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-1447?
Check Price and Availability of 5871-1447, 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 5871-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-1447
  • 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 5871-1447 available by request