0627-0043 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

0627-0043 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
0627-0043 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0627-0043
2-{[(3-acetylphenyl)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

0627-0043

Molecular Formula

C17H14N2O3 (C17 H14 N2 O3)

Compound Name

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

IUPAC name

2-{[(3-acetylphenyl)amino]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

CC(c1cccc(NCN(C(c2c3cccc2)=O)C3=O)c1)=O

InChI

InChI=1S/C17H14N2O3/c1-11(20)12-5-4-6-13(9-12)18-10-19-16(21)14-7-2-3-8-15(14)17(19)22/h2-9,18H,10H2,1H3

InChI Key

FDTGWZNZHQFIOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.96

Polar Surface Area

54.478

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 0627-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0627-0043?
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What is the minimum amount of 0627-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0627-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0627-0043
  • 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 0627-0043 available by request