8016-9558 Screening compound: 2-[(5-benzoyl-2-furyl)methyl]-1H-isoindole-1,3(2H)-dione

8016-9558 Screening compound: 2-[(5-benzoyl-2-furyl)methyl]-1H-isoindole-1,3(2H)-dione
8016-9558 Screening compound: 2-[(5-benzoyl-2-furyl)methyl]-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9558
2-[(5-benzoyl-2-furyl)methyl]-1H-isoindole-1,3(2H)-dione

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

8016-9558

Molecular Formula

C20H13NO4 (C20 H13 NO4)

Compound Name

2-[(5-benzoyl-2-furyl)methyl]-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[(5-benzoylfuran-2-yl)methyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c1ccc(CN(C(c2c3cccc2)=O)C3=O)o1)c1ccccc1

InChI

InChI=1S/C20H13NO4/c22-18(13-6-2-1-3-7-13)17-11-10-14(25-17)12-21-19(23)15-8-4-5-9-16(15)20(21)24/h1-11H,12H2

InChI Key

AXXSVDYQSVXNQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.496

Water Solubility, LogSw

-3.85

Polar Surface Area

50.800

Acid Dissociation Constant (pKa)

33.03

Base Dissociation Constant (pKb)

-10.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8016-9558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-9558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9558?
Check Price and Availability of 8016-9558, 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 8016-9558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9558
  • 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 8016-9558 available by request