0945-0529 Screening compound: 2-{[(4-methoxyphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

0945-0529 Screening compound: 2-{[(4-methoxyphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
0945-0529 Screening compound: 2-{[(4-methoxyphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0529
2-{[(4-methoxyphenyl)amino]methyl}-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

0945-0529

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

2-{[(4-methoxyphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[(4-methoxyphenyl)amino]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)ccc1NCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C16H14N2O3/c1-21-12-8-6-11(7-9-12)17-10-18-15(19)13-4-2-3-5-14(13)16(18)20/h2-9,17H,10H2,1H3

InChI Key

NBPCFJQUQFKOHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.36

Polar Surface Area

48.195

Acid Dissociation Constant (pKa)

16.53

Base Dissociation Constant (pKb)

0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0945-0529 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0945-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0529?
Check Price and Availability of 0945-0529, 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 0945-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0529
  • 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 0945-0529 available by request