5174-4493 Screening compound: ethyl 4-[(2,4-dimethoxyphenyl)amino]benzo[h]quinoline-3-carboxylate

5174-4493 Screening compound: ethyl 4-[(2,4-dimethoxyphenyl)amino]benzo[h]quinoline-3-carboxylate
5174-4493 Screening compound: ethyl 4-[(2,4-dimethoxyphenyl)amino]benzo[h]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-4493
ethyl 4-[(2,4-dimethoxyphenyl)amino]benzo[h]quinoline-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

5174-4493

Molecular Formula

C24H22N2O4 (C24 H22 N2 O4)

Compound Name

ethyl 4-[(2,4-dimethoxyphenyl)amino]benzo[h]quinoline-3-carboxylate

IUPAC name

ethyl 4-[(24-dimethoxyphenyl)amino]benzo[h]quinoline-3-carboxylate

SMILES

CCOC(c(cnc1c(cccc2)c2ccc11)c1Nc(ccc(OC)c1)c1OC)=O

InChI

InChI=1S/C24H22N2O4/c1-4-30-24(27)19-14-25-22-17-8-6-5-7-15(17)9-11-18(22)23(19)26-20-12-10-16(28-2)13-21(20)29-3/h5-14H,4H2,1-3H3,(H,25,26)

InChI Key

YFYFFVPSJADJRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-6.60

Polar Surface Area

52.337

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5174-4493 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5174-4493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-4493?
Check Price and Availability of 5174-4493, 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 5174-4493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-4493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-4493
  • 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 5174-4493 available by request