4112-2080 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 2,4-dichlorobenzoate

4112-2080 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 2,4-dichlorobenzoate
4112-2080 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 2,4-dichlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-2080
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl 2,4-dichlorobenzoate

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

4112-2080

Molecular Formula

C17H11Cl2NO4 (C17 H11 Cl2 NO4)

Compound Name

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

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)ethyl 24-dichlorobenzoate

SMILES

O=C(c(ccc(Cl)c1)c1Cl)OCCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C17H11Cl2NO4/c18-10-5-6-13(14(19)9-10)17(23)24-8-7-20-15(21)11-3-1-2-4-12(11)16(20)22/h1-6,9H,7-8H2

InChI Key

AZHPKHIEZYBABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02363225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.18

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.078

Distribution Coefficient, logD

4.078

Water Solubility, LogSw

-4.49

Polar Surface Area

50.518

Acid Dissociation Constant (pKa)

29.97

Base Dissociation Constant (pKb)

-7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4112-2080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-2080?
Check Price and Availability of 4112-2080, 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 4112-2080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-2080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-2080
  • 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 4112-2080 available by request