8006-0438 Screening compound: 6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

8006-0438 Screening compound: 6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
8006-0438 Screening compound: 6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0438
6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-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

8006-0438

Molecular Formula

C13H8BrNO2 (C13 H8 BrNO2)

Compound Name

6-bromo-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

10-bromo-3-methyl-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

CN(C(c(cccc12)c1c1ccc2Br)=O)C1=O

InChI

InChI=1S/C13H8BrNO2/c1-15-12(16)8-4-2-3-7-10(14)6-5-9(11(7)8)13(15)17/h2-6H,1H3

InChI Key

YOQFUJMBLJZBNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00446021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.12

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-3.30

Polar Surface Area

28.891

Acid Dissociation Constant (pKa)

29.89

Base Dissociation Constant (pKb)

-6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8006-0438 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0438?
Check Price and Availability of 8006-0438, 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 8006-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0438
  • 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 8006-0438 available by request