F474-3661 Screening compound: methyl 8-chloro-4-{[(3-ethoxyphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate

F474-3661 Screening compound: methyl 8-chloro-4-{[(3-ethoxyphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate
F474-3661 Screening compound: methyl 8-chloro-4-{[(3-ethoxyphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F474-3661
methyl 8-chloro-4-{[(3-ethoxyphenyl)methyl]amino}-2-oxo-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

F474-3661

Molecular Formula

C20H19ClN2O4 (C20 H19 ClN2 O4)

Compound Name

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

IUPAC name

methyl 8-chloro-4-{[(3-ethoxyphenyl)methyl]amino}-2-oxo-12-dihydroquinoline-3-carboxylate

SMILES

CCOc1cccc(CNC(c2cccc(Cl)c2N2)=C(C(OC)=O)C2=O)c1

InChI

InChI=1S/C20H19ClN2O4/c1-3-27-13-7-4-6-12(10-13)11-22-18-14-8-5-9-15(21)17(14)23-19(24)16(18)20(25)26-2/h4-10H,3,11H2,1-2H3,(H2,22,23,24)

InChI Key

UITIUZVBLIGVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22589640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.66

Polar Surface Area

61.595

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F474-3661 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F474-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F474-3661?
Check Price and Availability of F474-3661, 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 F474-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F474-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F474-3661
  • 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 F474-3661 available by request