0505-0109 Screening compound: 2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

0505-0109 Screening compound: 2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
0505-0109 Screening compound: 2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0505-0109
2-(4-chlorophenyl)-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

0505-0109

Molecular Formula

C18H10ClNO2 (C18 H10 ClNO2)

Compound Name

2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

3-(4-chlorophenyl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

O=C(c1c2c3cccc2ccc1)N(c(cc1)ccc1Cl)C3=O

InChI

InChI=1S/C18H10ClNO2/c19-12-7-9-13(10-8-12)20-17(21)14-5-1-3-11-4-2-6-15(16(11)14)18(20)22/h1-10H

InChI Key

LGZJELMGGFSAEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00175553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.729

Distribution Coefficient, logD

3.729

Water Solubility, LogSw

-4.47

Polar Surface Area

28.242

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0505-0109 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0505-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0505-0109?
Check Price and Availability of 0505-0109, 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 0505-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0505-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0505-0109
  • 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 0505-0109 available by request