F474-3646 Screening compound: methyl 8-chloro-2-oxo-4-{[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amino}-1,2-dihydroquinoline-3-carboxylate

F474-3646 Screening compound: methyl 8-chloro-2-oxo-4-{[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amino}-1,2-dihydroquinoline-3-carboxylate
F474-3646 Screening compound: methyl 8-chloro-2-oxo-4-{[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amino}-1,2-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F474-3646
methyl 8-chloro-2-oxo-4-{[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amino}-1,2-dihydroquinoline-3-carboxylate

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

F474-3646

Molecular Formula

C22H22ClN3O3 (C22 H22 ClN3 O3)

Compound Name

methyl 8-chloro-2-oxo-4-{[2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]amino}-1,2-dihydroquinoline-3-carboxylate

IUPAC name

methyl 8-chloro-2-oxo-4-{[2-(1234-tetrahydroquinolin-1-yl)ethyl]amino}-12-dihydroquinoline-3-carboxylate

SMILES

COC(C(C(Nc(c1ccc2)c2Cl)=O)=C1NCCN(CCC1)c2c1cccc2)=O

InChI

InChI=1S/C22H22ClN3O3/c1-29-22(28)18-20(15-8-4-9-16(23)19(15)25-21(18)27)24-11-13-26-12-5-7-14-6-2-3-10-17(14)26/h2-4,6,8-10H,5,7,11-13H2,1H3,(H2,24,25,27)

InChI Key

QXWAYZHLZOMWEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.74

Polar Surface Area

57.126

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F474-3646 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F474-3646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F474-3646?
Check Price and Availability of F474-3646, 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 F474-3646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F474-3646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F474-3646
  • 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 F474-3646 available by request