3594-0513 Screening compound: 6-bromo-2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione

3594-0513 Screening compound: 6-bromo-2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione
3594-0513 Screening compound: 6-bromo-2-hydroxy-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-0513
6-bromo-2-hydroxy-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

3594-0513

Molecular Formula

C12H6BrNO3 (C12 H6 BrNO3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C12H6BrNO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14(17)12(8)16/h1-5,17H

InChI Key

SMFFDONWMCQXFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00440112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.09

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

-1.182

Water Solubility, LogSw

-2.58

Polar Surface Area

46.287

Acid Dissociation Constant (pKa)

4.38

Base Dissociation Constant (pKb)

-10.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3594-0513 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3594-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-0513?
Check Price and Availability of 3594-0513, 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 3594-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-0513
  • 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 3594-0513 available by request