6199-2449 Screening compound: 2-(3-hydroxyphenyl)-5-(2-methoxyphenoxy)-2,3-dihydro-1H-isoindole-1,3-dione

6199-2449 Screening compound: 2-(3-hydroxyphenyl)-5-(2-methoxyphenoxy)-2,3-dihydro-1H-isoindole-1,3-dione
6199-2449 Screening compound: 2-(3-hydroxyphenyl)-5-(2-methoxyphenoxy)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6199-2449
2-(3-hydroxyphenyl)-5-(2-methoxyphenoxy)-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

6199-2449

Molecular Formula

C21H15NO5 (C21 H15 NO5)

Compound Name

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

IUPAC name

2-(3-hydroxyphenyl)-5-(2-methoxyphenoxy)-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cccc1)c1Oc(cc1)cc(C(N2c3cc(O)ccc3)=O)c1C2=O

InChI

InChI=1S/C21H15NO5/c1-26-18-7-2-3-8-19(18)27-15-9-10-16-17(12-15)21(25)22(20(16)24)13-5-4-6-14(23)11-13/h2-12,23H,1H3

InChI Key

ZWZLPRGTXMDIKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.09

Polar Surface Area

60.962

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

6199-2449 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6199-2449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6199-2449?
Check Price and Availability of 6199-2449, 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 6199-2449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6199-2449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6199-2449
  • 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 6199-2449 available by request