4358-4445 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate

4358-4445 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate
4358-4445 Screening compound: ethyl 4-[(4-methoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4445
ethyl 4-[(4-methoxyphenyl)amino]-6,8-dimethylquinoline-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

4358-4445

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

ethyl 4-[(4-methoxyphenyl)amino]-6,8-dimethylquinoline-3-carboxylate

IUPAC name

ethyl 4-[(4-methoxyphenyl)amino]-68-dimethylquinoline-3-carboxylate

SMILES

CCOC(c(cnc1c(C)cc(C)cc11)c1Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H22N2O3/c1-5-26-21(24)18-12-22-19-14(3)10-13(2)11-17(19)20(18)23-15-6-8-16(25-4)9-7-15/h6-12H,5H2,1-4H3,(H,22,23)

InChI Key

ICPHSPGSRCDYMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02368973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.124

Distribution Coefficient, logD

5.124

Water Solubility, LogSw

-4.94

Polar Surface Area

45.676

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4358-4445 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4358-4445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4445?
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What is the minimum amount of 4358-4445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4445
  • 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 4358-4445 available by request