3043-0041 Screening compound: methyl 2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate

3043-0041 Screening compound: methyl 2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
3043-0041 Screening compound: methyl 2-(3-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0041
methyl 2-(3-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

3043-0041

Molecular Formula

C17H13NO4 (C17 H13 NO4)

Compound Name

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

IUPAC name

methyl 2-(3-methylphenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

Cc1cccc(N(C(c(cc2)c3cc2C(OC)=O)=O)C3=O)c1

InChI

InChI=1S/C17H13NO4/c1-10-4-3-5-12(8-10)18-15(19)13-7-6-11(17(21)22-2)9-14(13)16(18)20/h3-9H,1-2H3

InChI Key

VNAYVHHHMLHJSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00591496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.60

Polar Surface Area

50.054

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3043-0041 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3043-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0041?
Check Price and Availability of 3043-0041, 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 3043-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0041
  • 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 3043-0041 available by request