C066-5393 Screening compound: 2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol

C066-5393 Screening compound: 2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol
C066-5393 Screening compound: 2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5393
2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol

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

C066-5393

Molecular Formula

C16H13FN2O (C16 H13 FN2 O)

Compound Name

2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol

IUPAC name

2-{[(4-fluorophenyl)amino]methyl}quinolin-8-ol

SMILES

Oc1c2nc(CNc(cc3)ccc3F)ccc2ccc1

InChI

InChI=1S/C16H13FN2O/c17-12-5-8-13(9-6-12)18-10-14-7-4-11-2-1-3-15(20)16(11)19-14/h1-9,18,20H,10H2

InChI Key

CETWMBXJZXBQHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.29

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.711

Water Solubility, LogSw

-3.77

Polar Surface Area

36.618

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

C066-5393 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5393?
Check Price and Availability of C066-5393, 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 C066-5393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5393
  • 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 C066-5393 available by request