5174-4524 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}benzo[h]quinoline-3-carboxylate

5174-4524 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}benzo[h]quinoline-3-carboxylate
5174-4524 Screening compound: ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}benzo[h]quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-4524
ethyl 4-{[2-(3,4-dimethoxyphenyl)ethyl]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

5174-4524

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

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

IUPAC name

ethyl 4-{[2-(34-dimethoxyphenyl)ethyl]amino}benzo[h]quinoline-3-carboxylate

SMILES

CCOC(c(cnc1c(cccc2)c2ccc11)c1NCCc(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C26H26N2O4/c1-4-32-26(29)21-16-28-24-19-8-6-5-7-18(19)10-11-20(24)25(21)27-14-13-17-9-12-22(30-2)23(15-17)31-3/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,28)

InChI Key

JAESXYCGWWKYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.88

Polar Surface Area

54.285

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5174-4524 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 5174-4524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-4524?
Check Price and Availability of 5174-4524, 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 5174-4524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-4524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-4524
  • 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 5174-4524 available by request