5835-1495 Screening compound: 2-[4-(4-methoxyphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

5835-1495 Screening compound: 2-[4-(4-methoxyphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
5835-1495 Screening compound: 2-[4-(4-methoxyphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5835-1495
2-[4-(4-methoxyphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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

5835-1495

Molecular Formula

C22H15NO6 (C22 H15 NO6)

Compound Name

2-[4-(4-methoxyphenoxy)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-[4-(4-methoxyphenoxy)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

COc(cc1)ccc1Oc(cc1)ccc1N(C(c(cc1)c2cc1C(O)=O)=O)C2=O

InChI

InChI=1S/C22H15NO6/c1-28-15-7-9-17(10-8-15)29-16-5-3-14(4-6-16)23-20(24)18-11-2-13(22(26)27)12-19(18)21(23)25/h2-12H,1H3,(H,26,27)

InChI Key

ZKMBFAITJSYZOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03353292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.510

Distribution Coefficient, logD

0.533

Water Solubility, LogSw

-4.32

Polar Surface Area

71.579

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

5835-1495 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5835-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5835-1495?
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What is the minimum amount of 5835-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5835-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5835-1495
  • 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 5835-1495 available by request