5694-1098 Screening compound: 3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-3,6-dicarboxylate

5694-1098 Screening compound: 3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-3,6-dicarboxylate
5694-1098 Screening compound: 3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5694-1098
3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-3,6-dicarboxylate

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

5694-1098

Molecular Formula

C22H20N2O5 (C22 H20 N2 O5)

Compound Name

3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-3,6-dicarboxylate

IUPAC name

3-ethyl 6-methyl 4-[(4-acetylphenyl)amino]quinoline-36-dicarboxylate

SMILES

CCOC(c(cnc(c1c2)ccc2C(OC)=O)c1Nc(cc1)ccc1C(C)=O)=O

InChI

InChI=1S/C22H20N2O5/c1-4-29-22(27)18-12-23-19-10-7-15(21(26)28-3)11-17(19)20(18)24-16-8-5-14(6-9-16)13(2)25/h5-12H,4H2,1-3H3,(H,23,24)

InChI Key

ZUFZETAALWWCDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.879

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-3.87

Polar Surface Area

72.362

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5694-1098 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5694-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5694-1098?
Check Price and Availability of 5694-1098, 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 5694-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5694-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5694-1098
  • 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 5694-1098 available by request