1082-0497 Screening compound: 2-{3-[(2-methylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

1082-0497 Screening compound: 2-{3-[(2-methylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
1082-0497 Screening compound: 2-{3-[(2-methylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1082-0497
2-{3-[(2-methylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

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

1082-0497

Molecular Formula

C23H16N2O5 (C23 H16 N2 O5)

Compound Name

2-{3-[(2-methylphenyl)carbamoyl]phenyl}-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-{3-[(2-methylphenyl)carbamoyl]phenyl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

Cc(cccc1)c1NC(c1cccc(N(C(c(cc2)c3cc2C(O)=O)=O)C3=O)c1)=O

InChI

InChI=1S/C23H16N2O5/c1-13-5-2-3-8-19(13)24-20(26)14-6-4-7-16(11-14)25-21(27)17-10-9-15(23(29)30)12-18(17)22(25)28/h2-12H,1H3,(H,24,26)(H,29,30)

InChI Key

JJLRWEQQNWKGOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00336671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.747

Distribution Coefficient, logD

-0.230

Water Solubility, LogSw

-3.98

Polar Surface Area

79.681

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1082-0497 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Frequent Hitters Library (7624 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1082-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1082-0497?
Check Price and Availability of 1082-0497, 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 1082-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1082-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1082-0497
  • 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 1082-0497 available by request