8010-4553 Screening compound: 6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

8010-4553 Screening compound: 6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline
8010-4553 Screening compound: 6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4553
6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

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

8010-4553

Molecular Formula

C25H19ClFNO (C25 H19 ClFNO)

Compound Name

6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline

IUPAC name

6-benzoyl-8-chloro-4-(2-fluorophenyl)-3H3aH4H5H9bH-cyclopenta[c]quinoline

SMILES

O=C(c1ccccc1)c(cc(cc1C2C=CCC22)Cl)c1NC2c(cccc1)c1F

InChI

InChI=1S/C25H19ClFNO/c26-16-13-20-17-10-6-11-18(17)23(19-9-4-5-12-22(19)27)28-24(20)21(14-16)25(29)15-7-2-1-3-8-15/h1-10,12-14,17-18,23,28H,11H2

InChI Key

PLBLHQIQVLEBNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.88

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.274

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-6.37

Polar Surface Area

23.536

Acid Dissociation Constant (pKa)

16.29

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

16.00

8010-4553 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8010-4553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4553?
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What is the minimum amount of 8010-4553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4553
  • 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 8010-4553 available by request