5994-0450 Screening compound: 7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol

5994-0450 Screening compound: 7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol
5994-0450 Screening compound: 7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5994-0450
7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-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

5994-0450

Molecular Formula

C22H18ClN3O (C22 H18 ClN3 O)

Compound Name

7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol

IUPAC name

7-[(4-chlorophenyl)[(pyridin-2-yl)amino]methyl]-2-methylquinolin-8-ol

SMILES

Cc1ccc(ccc(C(c(cc2)ccc2Cl)Nc2ncccc2)c2O)c2n1

InChI

InChI=1S/C22H18ClN3O/c1-14-5-6-16-9-12-18(22(27)21(16)25-14)20(15-7-10-17(23)11-8-15)26-19-4-2-3-13-24-19/h2-13,20,27H,1H3,(H,24,26)/t20-/m0/s1

InChI Key

PCBHRAHEKOFWDT-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02377306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.86

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

5.479

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-6.05

Polar Surface Area

43.555

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

5994-0450 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5994-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5994-0450?
Check Price and Availability of 5994-0450, 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 5994-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5994-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5994-0450
  • 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 5994-0450 available by request