4112-2085 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 3,4-dimethoxybenzoate

4112-2085 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 3,4-dimethoxybenzoate
4112-2085 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 3,4-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-2085
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 3,4-dimethoxybenzoate

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

4112-2085

Molecular Formula

C19H17NO6 (C19 H17 NO6)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 3,4-dimethoxybenzoate

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)ethyl 34-dimethoxybenzoate

SMILES

COc(ccc(C(OCCN(C(c1c2cccc1)=O)C2=O)=O)c1)c1OC

InChI

InChI=1S/C19H17NO6/c1-24-15-8-7-12(11-16(15)25-2)19(23)26-10-9-20-17(21)13-5-3-4-6-14(13)18(20)22/h3-8,11H,9-10H2,1-2H3

InChI Key

OMKLDBSPXXIJIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02363230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.86

Polar Surface Area

65.778

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4112-2085 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleoside Mimetics Library (2197 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
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 4112-2085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-2085?
Check Price and Availability of 4112-2085, 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 4112-2085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-2085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-2085
  • 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 4112-2085 available by request