0167-0125 Screening compound: 2-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

0167-0125 Screening compound: 2-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione
0167-0125 Screening compound: 2-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0125
2-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-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

0167-0125

Molecular Formula

C21H15NO3 (C21 H15 NO3)

Compound Name

2-[4-(benzyloxy)phenyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(benzyloxy)phenyl]-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(cccc1)c1C1=O)N1c(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C21H15NO3/c23-20-18-8-4-5-9-19(18)21(24)22(20)16-10-12-17(13-11-16)25-14-15-6-2-1-3-7-15/h1-13H,14H2

InChI Key

JUOUMGCILMRHIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00187340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-4.55

Polar Surface Area

36.107

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0167-0125 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 0167-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0125?
Check Price and Availability of 0167-0125, 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 0167-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0125
  • 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 0167-0125 available by request