3594-1018 Screening compound: 2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid

3594-1018 Screening compound: 2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid
3594-1018 Screening compound: 2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3594-1018
2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid

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

3594-1018

Molecular Formula

C19H10ClNO4 (C19 H10 ClNO4)

Compound Name

2-(4-chlorophenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylic acid

IUPAC name

3-(4-chlorophenyl)-24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaene-8-carboxylic acid

SMILES

OC(c(c1cccc(C(N2c(cc3)ccc3Cl)=O)c11)ccc1C2=O)=O

InChI

InChI=1S/C19H10ClNO4/c20-10-4-6-11(7-5-10)21-17(22)14-3-1-2-12-13(19(24)25)8-9-15(16(12)14)18(21)23/h1-9H,(H,24,25)

InChI Key

CMCUSAHHTJPJNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01165602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

1.708

Water Solubility, LogSw

-4.09

Polar Surface Area

56.650

Acid Dissociation Constant (pKa)

5.47

Base Dissociation Constant (pKb)

-6.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3594-1018 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3594-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3594-1018?
Check Price and Availability of 3594-1018, 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 3594-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3594-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3594-1018
  • 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 3594-1018 available by request