4558-1789 Screening compound: 1-(4-chlorophenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one

4558-1789 Screening compound: 1-(4-chlorophenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one
4558-1789 Screening compound: 1-(4-chlorophenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4558-1789
1-(4-chlorophenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one

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

4558-1789

Molecular Formula

C19H14ClNO (C19 H14 ClNO)

Compound Name

1-(4-chlorophenyl)-1H,2H,3H,4H-benzo[f]quinolin-3-one

IUPAC name

1-(4-chlorophenyl)-1H2H3H4H-benzo[f]quinolin-3-one

SMILES

O=C(CC1c(cc2)ccc2Cl)Nc2c1c1ccccc1cc2

InChI

InChI=1S/C19H14ClNO/c20-14-8-5-13(6-9-14)16-11-18(22)21-17-10-7-12-3-1-2-4-15(12)19(16)17/h1-10,16H,11H2,(H,21,22)/t16-/m0/s1

InChI Key

AQJRALPRSIVPKZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00520742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.78

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.498

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.97

Polar Surface Area

24.516

Acid Dissociation Constant (pKa)

12.10

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

4558-1789 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 4558-1789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4558-1789?
Check Price and Availability of 4558-1789, 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 4558-1789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4558-1789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4558-1789
  • 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 4558-1789 available by request