4896-0018 Screening compound: 7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol

4896-0018 Screening compound: 7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol
4896-0018 Screening compound: 7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-0018
7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)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

4896-0018

Molecular Formula

C22H17ClFN3O (C22 H17 ClFN3 O)

Compound Name

7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol

IUPAC name

7-[(2-chloro-6-fluorophenyl)[(4-methylpyridin-2-yl)amino]methyl]quinolin-8-ol

SMILES

Cc1cc(NC(c(ccc2cccnc22)c2O)c(c(F)ccc2)c2Cl)ncc1

InChI

InChI=1S/C22H17ClFN3O/c1-13-9-11-25-18(12-13)27-21(19-16(23)5-2-6-17(19)24)15-8-7-14-4-3-10-26-20(14)22(15)28/h2-12,21,28H,1H3,(H,25,27)/t21-/m0/s1

InChI Key

CRIZOPXWFAJBPS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01929831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.108

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.25

Polar Surface Area

44.181

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

4896-0018 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4896-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-0018?
Check Price and Availability of 4896-0018, 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 4896-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-0018
  • 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 4896-0018 available by request