0726-0102 Screening compound: 2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

0726-0102 Screening compound: 2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
0726-0102 Screening compound: 2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0726-0102
2-(4-acetamidophenyl)-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

0726-0102

Molecular Formula

C17H12N2O5 (C17 H12 N2 O5)

Compound Name

2-(4-acetamidophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-(4-acetamidophenyl)-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

CC(Nc(cc1)ccc1N(C(c(cc1)c2cc1C(O)=O)=O)C2=O)=O

InChI

InChI=1S/C17H12N2O5/c1-9(20)18-11-3-5-12(6-4-11)19-15(21)13-7-2-10(17(23)24)8-14(13)16(19)22/h2-8H,1H3,(H,18,20)(H,23,24)

InChI Key

PSZQNXKRIHBZKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00192754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.010

Distribution Coefficient, logD

-1.967

Water Solubility, LogSw

-2.73

Polar Surface Area

80.550

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0726-0102 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0726-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0726-0102?
Check Price and Availability of 0726-0102, 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 0726-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0726-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0726-0102
  • 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 0726-0102 available by request