F474-2776 Screening compound: ethyl 6-chloro-4-{[(4-methylphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate

F474-2776 Screening compound: ethyl 6-chloro-4-{[(4-methylphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate
F474-2776 Screening compound: ethyl 6-chloro-4-{[(4-methylphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F474-2776
ethyl 6-chloro-4-{[(4-methylphenyl)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

F474-2776

Molecular Formula

C20H19ClN2O3 (C20 H19 ClN2 O3)

Compound Name

ethyl 6-chloro-4-{[(4-methylphenyl)methyl]amino}-2-oxo-1,2-dihydroquinoline-3-carboxylate

IUPAC name

ethyl 6-chloro-4-{[(4-methylphenyl)methyl]amino}-2-oxo-12-dihydroquinoline-3-carboxylate

SMILES

CCOC(C(C(Nc(cc1)c2cc1Cl)=O)=C2NCc1ccc(C)cc1)=O

InChI

InChI=1S/C20H19ClN2O3/c1-3-26-20(25)17-18(22-11-13-6-4-12(2)5-7-13)15-10-14(21)8-9-16(15)23-19(17)24/h4-10H,3,11H2,1-2H3,(H2,22,23,24)

InChI Key

BPVDEDCKCBXQMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.44

Polar Surface Area

56.303

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F474-2776 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F474-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F474-2776?
Check Price and Availability of F474-2776, 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 F474-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F474-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F474-2776
  • 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 F474-2776 available by request