2036-0141 Screening compound: 1,3-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylic acid

2036-0141 Screening compound: 1,3-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylic acid
2036-0141 Screening compound: 1,3-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2036-0141
1,3-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-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

2036-0141

Molecular Formula

C24H15NO5 (C24 H15 NO5)

Compound Name

1,3-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-2,3-dihydro-1H-isoindole-5-carboxylic acid

IUPAC name

13-dioxo-2-{3-[(2E)-3-phenylprop-2-enoyl]phenyl}-23-dihydro-1H-isoindole-5-carboxylic acid

SMILES

OC(c(cc1)cc(C(N2c3cc(C(/C=C/c4ccccc4)=O)ccc3)=O)c1C2=O)=O

InChI

InChI=1S/C24H15NO5/c26-21(12-9-15-5-2-1-3-6-15)16-7-4-8-18(13-16)25-22(27)19-11-10-17(24(29)30)14-20(19)23(25)28/h1-14H,(H,29,30)

InChI Key

WWLJELVLPFLQSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00334652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

0.579

Water Solubility, LogSw

-4.55

Polar Surface Area

70.263

Acid Dissociation Constant (pKa)

3.42

Base Dissociation Constant (pKb)

-10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2036-0141 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2036-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2036-0141?
Check Price and Availability of 2036-0141, 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 2036-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2036-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2036-0141
  • 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 2036-0141 available by request