5596-0250 Screening compound: 4-propanoylphenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

5596-0250 Screening compound: 4-propanoylphenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate
5596-0250 Screening compound: 4-propanoylphenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0250
4-propanoylphenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

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

5596-0250

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

4-propanoylphenyl 6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanoate

IUPAC name

4-propanoylphenyl 6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanoate

SMILES

CCC(c(cc1)ccc1OC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C23H23NO5/c1-2-20(25)16-11-13-17(14-12-16)29-21(26)10-4-3-7-15-24-22(27)18-8-5-6-9-19(18)23(24)28/h5-6,8-9,11-14H,2-4,7,10,15H2,1H3

InChI Key

DGGZKTGBLSQFBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.68

Polar Surface Area

62.771

Acid Dissociation Constant (pKa)

21.16

Base Dissociation Constant (pKb)

-6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

5596-0250 in Drug Discovery

Included in Screening Libraries

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 5596-0250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0250?
Check Price and Availability of 5596-0250, 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 5596-0250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0250
  • 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 5596-0250 available by request