4358-1418 Screening compound: 3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

4358-1418 Screening compound: 3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid
4358-1418 Screening compound: 3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-1418
3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-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

4358-1418

Molecular Formula

C20H17ClN2O4 (C20 H17 ClN2 O4)

Compound Name

3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

IUPAC name

3-{[6-chloro-3-(ethoxycarbonyl)-8-methylquinolin-4-yl]amino}benzoic acid

SMILES

CCOC(c1cnc(c(C)cc(Cl)c2)c2c1Nc1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C20H17ClN2O4/c1-3-27-20(26)16-10-22-17-11(2)7-13(21)9-15(17)18(16)23-14-6-4-5-12(8-14)19(24)25/h4-10H,3H2,1-2H3,(H,22,23)(H,24,25)

InChI Key

VJXLCXYGAUUNAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02932650

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

384.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.631

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-5.62

Polar Surface Area

66.540

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4358-1418 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4358-1418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-1418?
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What is the minimum amount of 4358-1418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-1418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-1418
  • 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 4358-1418 available by request