5174-4662 Screening compound: 3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid

5174-4662 Screening compound: 3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid
5174-4662 Screening compound: 3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-4662
3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid

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

5174-4662

Molecular Formula

C20H18N2O5 (C20 H18 N2 O5)

Compound Name

3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid

IUPAC name

3-{[3-(ethoxycarbonyl)-8-methoxyquinolin-4-yl]amino}benzoic acid

SMILES

CCOC(c(cnc(c1ccc2)c2OC)c1Nc1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C20H18N2O5/c1-3-27-20(25)15-11-21-18-14(8-5-9-16(18)26-2)17(15)22-13-7-4-6-12(10-13)19(23)24/h4-11H,3H2,1-2H3,(H,21,22)(H,23,24)

InChI Key

JKRPVCBEXDMTOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09980415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

0.875

Water Solubility, LogSw

-4.11

Polar Surface Area

74.170

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5174-4662 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

C-Met Library (15277 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Proteases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5174-4662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-4662?
Check Price and Availability of 5174-4662, 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 5174-4662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-4662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-4662
  • 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 5174-4662 available by request