4593-2813 Screening compound: 3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]amino}quinoline-3,6-dicarboxylate

4593-2813 Screening compound: 3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]amino}quinoline-3,6-dicarboxylate
4593-2813 Screening compound: 3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]amino}quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-2813
3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]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

4593-2813

Molecular Formula

C23H22N2O6 (C23 H22 N2 O6)

Compound Name

3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]amino}quinoline-3,6-dicarboxylate

IUPAC name

3-ethyl 6-methyl 4-{[4-(ethoxycarbonyl)phenyl]amino}quinoline-36-dicarboxylate

SMILES

CCOC(c(cc1)ccc1Nc(c1cc(C(OC)=O)ccc1nc1)c1C(OCC)=O)=O

InChI

InChI=1S/C23H22N2O6/c1-4-30-22(27)14-6-9-16(10-7-14)25-20-17-12-15(21(26)29-3)8-11-19(17)24-13-18(20)23(28)31-5-2/h6-13H,4-5H2,1-3H3,(H,24,25)

InChI Key

MHDHGWHQNAUGFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.58

Polar Surface Area

79.289

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 4593-2813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-2813?
Check Price and Availability of 4593-2813, 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 4593-2813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-2813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-2813
  • 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 4593-2813 available by request