8011-1466 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

8011-1466 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
8011-1466 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-1466
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

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

8011-1466

Molecular Formula

C23H19NO4 (C23 H19 NO4)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2H-13-benzodioxol-5-yl)methyl]-3-benzyl-3-hydroxy-23-dihydro-1H-isoindol-1-one

SMILES

OC(Cc1ccccc1)(c1c2cccc1)N(Cc(cc1)cc3c1OCO3)C2=O

InChI

InChI=1S/C23H19NO4/c25-22-18-8-4-5-9-19(18)23(26,13-16-6-2-1-3-7-16)24(22)14-17-10-11-20-21(12-17)28-15-27-20/h1-12,26H,13-15H2/t23-/m0/s1

InChI Key

SBNSHDTXDUMPCZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02641177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

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

4.403

Distribution Coefficient, logD

4.403

Water Solubility, LogSw

-4.43

Polar Surface Area

49.578

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-6.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8011-1466 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-1466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-1466?
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What is the minimum amount of 8011-1466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-1466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-1466
  • 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 8011-1466 available by request