0717-0946 Screening compound: 2-[7-(5-carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

0717-0946 Screening compound: 2-[7-(5-carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
0717-0946 Screening compound: 2-[7-(5-carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0717-0946
2-[7-(5-carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptyl]-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

0717-0946

Molecular Formula

C25H22N2O8 (C25 H22 N2 O8)

Compound Name

2-[7-(5-carboxy-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)heptyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

2-[7-(5-carboxy-13-dioxo-23-dihydro-1H-isoindol-2-yl)heptyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2CCCCCCCN(C(c(cc3)c4cc3C(O)=O)=O)C4=O)=O)c1C2=O)=O

InChI

InChI=1S/C25H22N2O8/c28-20-16-8-6-14(24(32)33)12-18(16)22(30)26(20)10-4-2-1-3-5-11-27-21(29)17-9-7-15(25(34)35)13-19(17)23(27)31/h6-9,12-13H,1-5,10-11H2,(H,32,33)(H,34,35)

InChI Key

KZPSPDOOUWPINU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00608315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

0.180

Water Solubility, LogSw

-4.05

Polar Surface Area

115.789

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

0717-0946 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0717-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0717-0946?
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What is the minimum amount of 0717-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0717-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0717-0946
  • 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 0717-0946 available by request