4593-3029 Screening compound: 3,6-diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-3,6-dicarboxylate

4593-3029 Screening compound: 3,6-diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-3,6-dicarboxylate
4593-3029 Screening compound: 3,6-diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-3029
3,6-diethyl 4-[(5-chloro-2-methoxyphenyl)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

4593-3029

Molecular Formula

C22H21ClN2O5 (C22 H21 ClN2 O5)

Compound Name

3,6-diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-36-dicarboxylate

SMILES

CCOC(c(cc12)ccc2ncc(C(OCC)=O)c1Nc(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C22H21ClN2O5/c1-4-29-21(26)13-6-8-17-15(10-13)20(16(12-24-17)22(27)30-5-2)25-18-11-14(23)7-9-19(18)28-3/h6-12H,4-5H2,1-3H3,(H,24,25)

InChI Key

VLNYARUFFYXNAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02959300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.538

Distribution Coefficient, logD

5.538

Water Solubility, LogSw

-5.96

Polar Surface Area

65.048

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

4593-3029 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 4593-3029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-3029?
Check Price and Availability of 4593-3029, 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 4593-3029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-3029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-3029
  • 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 4593-3029 available by request