0404-0004 Screening compound: 6-CHLORO-2-METHYL-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

0404-0004 Screening compound: 6-CHLORO-2-METHYL-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE
0404-0004 Screening compound: 6-CHLORO-2-METHYL-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 0404-0004
6-CHLORO-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

0404-0004

Molecular Formula

C13H8ClNO2 (C13 H8 ClNO2)

Compound Name

6-CHLORO-2-METHYL-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

IUPAC name

n/a

SMILES

CN(C(c(cccc12)c1c1ccc2Cl)=O)C1=O

InChI

InChI=1S/C13H8ClNO2/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

SGNIMUROCFTAQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00447059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.66

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

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.52

Polar Surface Area

28.891

Acid Dissociation Constant (pKa)

29.89

Base Dissociation Constant (pKb)

-7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

0404-0004 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0404-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0404-0004?
Check Price and Availability of 0404-0004, 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 0404-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0404-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0404-0004
  • 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 0404-0004 available by request