4695-0139 Screening compound: 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1,3-dicarboxylic acid

4695-0139 Screening compound: 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1,3-dicarboxylic acid
4695-0139 Screening compound: 5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1,3-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0139
5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1,3-dicarboxylic 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

4695-0139

Molecular Formula

C16H9NO6 (C16 H9 NO6)

Compound Name

5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)benzene-1,3-dicarboxylic acid

IUPAC name

5-(13-dioxo-23-dihydro-1H-isoindol-2-yl)benzene-13-dicarboxylic acid

SMILES

OC(c1cc(N(C(c2c3cccc2)=O)C3=O)cc(C(O)=O)c1)=O

InChI

InChI=1S/C16H9NO6/c18-13-11-3-1-2-4-12(11)14(19)17(13)10-6-8(15(20)21)5-9(7-10)16(22)23/h1-7H,(H,20,21)(H,22,23)

InChI Key

WPNQLRHQPSJNDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00394850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.548

Distribution Coefficient, logD

-0.619

Water Solubility, LogSw

-2.69

Polar Surface Area

85.696

Acid Dissociation Constant (pKa)

4.23

Base Dissociation Constant (pKb)

-8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4695-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0139?
Check Price and Availability of 4695-0139, 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 4695-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0139
  • 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 4695-0139 available by request