5871-1861 Screening compound: 4-methyl-3-[5-(4-methylphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

5871-1861 Screening compound: 4-methyl-3-[5-(4-methylphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid
5871-1861 Screening compound: 4-methyl-3-[5-(4-methylphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5871-1861
4-methyl-3-[5-(4-methylphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic 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

5871-1861

Molecular Formula

C23H17NO5 (C23 H17 NO5)

Compound Name

4-methyl-3-[5-(4-methylphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

IUPAC name

4-methyl-3-[5-(4-methylphenoxy)-13-dioxo-23-dihydro-1H-isoindol-2-yl]benzoic acid

SMILES

Cc(cc1)ccc1Oc(cc1)cc(C(N2c3c(C)ccc(C(O)=O)c3)=O)c1C2=O

InChI

InChI=1S/C23H17NO5/c1-13-3-7-16(8-4-13)29-17-9-10-18-19(12-17)22(26)24(21(18)25)20-11-15(23(27)28)6-5-14(20)2/h3-12H,1-2H3,(H,27,28)

InChI Key

URBNKNOWRSXBJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03631859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.449

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-5.30

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-6.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

5871-1861 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 5871-1861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5871-1861?
Check Price and Availability of 5871-1861, 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 5871-1861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5871-1861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5871-1861
  • 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 5871-1861 available by request