8013-4391 Screening compound: 1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-4-one

8013-4391 Screening compound: 1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-4-one
8013-4391 Screening compound: 1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4391
1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-4-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

8013-4391

Molecular Formula

C16H12FNO2 (C16 H12 FNO2)

Compound Name

1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinolin-4-one

IUPAC name

1-(2-fluorobenzoyl)-1234-tetrahydroquinolin-4-one

SMILES

O=C(c(cccc1)c1F)N(CC1)c(cccc2)c2C1=O

InChI

InChI=1S/C16H12FNO2/c17-13-7-3-1-5-11(13)16(20)18-10-9-15(19)12-6-2-4-8-14(12)18/h1-8H,9-10H2

InChI Key

WVBAPHKVWGGIKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.838

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.64

Polar Surface Area

28.799

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

-6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8013-4391 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-4391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4391?
Check Price and Availability of 8013-4391, 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 8013-4391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4391
  • 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 8013-4391 available by request