8006-5346 Screening compound: 2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-1H-isoindole-1,3(2H)-dione

8006-5346 Screening compound: 2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-1H-isoindole-1,3(2H)-dione
8006-5346 Screening compound: 2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5346
2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-1H-isoindole-1,3(2H)-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

8006-5346

Molecular Formula

C34H20N2O8 (C34 H20 N2 O8)

Compound Name

2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-1H-isoindole-1,3(2H)-dione

IUPAC name

2-(4-hydroxyphenyl)-5-(3-{[2-(4-hydroxyphenyl)-13-dioxo-23-dihydro-1H-isoindol-5-yl]oxy}phenoxy)-23-dihydro-1H-isoindole-13-dione

SMILES

Oc(cc1)ccc1N(C(c(cc1)c2cc1Oc1cccc(Oc(cc3)cc(C(N4c(cc5)ccc5O)=O)c3C4=O)c1)=O)C2=O

InChI

InChI=1S/C34H20N2O8/c37-21-8-4-19(5-9-21)35-31(39)27-14-12-25(17-29(27)33(35)41)43-23-2-1-3-24(16-23)44-26-13-15-28-30(18-26)34(42)36(32(28)40)20-6-10-22(38)11-7-20/h1-18,37-38H

InChI Key

HSDZKNKYYOCURE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00306642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.533

Water Solubility, LogSw

-5.66

Polar Surface Area

106.251

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-5346 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-5346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5346?
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What is the minimum amount of 8006-5346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5346
  • 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 8006-5346 available by request