6199-2445 Screening compound: 4-[5-(2-methoxyphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid

6199-2445 Screening compound: 4-[5-(2-methoxyphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid
6199-2445 Screening compound: 4-[5-(2-methoxyphenoxy)-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6199-2445
4-[5-(2-methoxyphenoxy)-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

6199-2445

Molecular Formula

C22H15NO6 (C22 H15 NO6)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1Oc(cc1)cc(C(N2c(cc3)ccc3C(O)=O)=O)c1C2=O

InChI

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

InChI Key

JYJPXDFUERMLQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142006

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

4.160

Distribution Coefficient, logD

1.765

Water Solubility, LogSw

-4.44

Polar Surface Area

71.753

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

6199-2445 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 6199-2445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6199-2445?
Check Price and Availability of 6199-2445, 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 6199-2445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6199-2445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6199-2445
  • 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 6199-2445 available by request