0983-0012 Screening compound: ethyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

0983-0012 Screening compound: ethyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
0983-0012 Screening compound: ethyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0983-0012
ethyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

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

0983-0012

Molecular Formula

C18H15NO4 (C18 H15 NO4)

Compound Name

ethyl 2-(2-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

IUPAC name

ethyl 2-(2-methylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

CCOC(c(cc1)cc(C(N2c3c(C)cccc3)=O)c1C2=O)=O

InChI

InChI=1S/C18H15NO4/c1-3-23-18(22)12-8-9-13-14(10-12)17(21)19(16(13)20)15-7-5-4-6-11(15)2/h4-10H,3H2,1-2H3

InChI Key

IZGJRVSWDWAPIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00592784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-3.92

Polar Surface Area

49.333

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0983-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0983-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0983-0012?
Check Price and Availability of 0983-0012, 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 0983-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0983-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0983-0012
  • 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 0983-0012 available by request