8003-6230 Screening compound: 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide

8003-6230 Screening compound: 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide
8003-6230 Screening compound: 1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6230
1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide

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

8003-6230

Molecular Formula

C39H26N2O5 (C39 H26 N2 O5)

Compound Name

1,3-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

13-dioxo-2-{4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-N-{4-[(1Z)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}-23-dihydro-1H-isoindole-5-carboxamide

SMILES

O=C(/C=C\c(cc1)ccc1NC(c(cc1)cc(C(N2c3ccc(/C=C/C(c4ccccc4)=O)cc3)=O)c1C2=O)=O)c1ccccc1

InChI

InChI=1S/C39H26N2O5/c42-35(28-7-3-1-4-8-28)23-15-26-11-18-31(19-12-26)40-37(44)30-17-22-33-34(25-30)39(46)41(38(33)45)32-20-13-27(14-21-32)16-24-36(43)29-9-5-2-6-10-29/h1-25H,(H,40,44)

InChI Key

WKSYYNGATDTVPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.65

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.711

Water Solubility, LogSw

-6.26

Polar Surface Area

77.922

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-6230 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-6230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6230?
Check Price and Availability of 8003-6230, 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 8003-6230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6230
  • 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 8003-6230 available by request