5596-0247 Screening compound: propan-2-yl 4-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

5596-0247 Screening compound: propan-2-yl 4-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate
5596-0247 Screening compound: propan-2-yl 4-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5596-0247
propan-2-yl 4-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

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

5596-0247

Molecular Formula

C24H26N2O5 (C24 H26 N2 O5)

Compound Name

propan-2-yl 4-[6-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

IUPAC name

propan-2-yl 4-[6-(13-dioxo-23-dihydro-1H-isoindol-2-yl)hexanamido]benzoate

SMILES

CC(C)OC(c(cc1)ccc1NC(CCCCCN(C(c1c2cccc1)=O)C2=O)=O)=O

InChI

InChI=1S/C24H26N2O5/c1-16(2)31-24(30)17-11-13-18(14-12-17)25-21(27)10-4-3-7-15-26-22(28)19-8-5-6-9-20(19)23(26)29/h5-6,8-9,11-14,16H,3-4,7,10,15H2,1-2H3,(H,25,27)

InChI Key

PYCCUHFCVPRSKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01530548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.718

Water Solubility, LogSw

-3.85

Polar Surface Area

73.052

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5596-0247 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 5596-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5596-0247?
Check Price and Availability of 5596-0247, 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 5596-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5596-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5596-0247
  • 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 5596-0247 available by request