8011-9924 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

8011-9924 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione
8011-9924 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-9924
2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-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

8011-9924

Molecular Formula

C16H10BrNO4 (C16 H10 BrNO4)

Compound Name

2-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

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

SMILES

O=C(c(cc1)c2cc1Br)N(Cc(cc1)cc3c1OCO3)C2=O

InChI

InChI=1S/C16H10BrNO4/c17-10-2-3-11-12(6-10)16(20)18(15(11)19)7-9-1-4-13-14(5-9)22-8-21-13/h1-6H,7-8H2

InChI Key

NBZGUKLXNIRSLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01329830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.16

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.726

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-4.09

Polar Surface Area

46.607

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-8.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-9924 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8011-9924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-9924?
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What is the minimum amount of 8011-9924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-9924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-9924
  • 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 8011-9924 available by request