4789-4769 Screening compound: ethyl 7,8-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-3-carboxylate

4789-4769 Screening compound: ethyl 7,8-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-3-carboxylate
4789-4769 Screening compound: ethyl 7,8-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4769
ethyl 7,8-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-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

4789-4769

Molecular Formula

C20H19Cl2N3O2 (C20 H19 Cl2 N3 O2)

Compound Name

ethyl 7,8-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-3-carboxylate

IUPAC name

ethyl 78-dichloro-4-{[4-(dimethylamino)phenyl]amino}quinoline-3-carboxylate

SMILES

CCOC(c(c(Nc(cc1)ccc1N(C)C)c1cc2)cnc1c(Cl)c2Cl)=O

InChI

InChI=1S/C20H19Cl2N3O2/c1-4-27-20(26)15-11-23-19-14(9-10-16(21)17(19)22)18(15)24-12-5-7-13(8-6-12)25(2)3/h5-11H,4H2,1-3H3,(H,23,24)

InChI Key

JNKSBFDGNRLVLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.548

Water Solubility, LogSw

-6.00

Polar Surface Area

40.937

Acid Dissociation Constant (pKa)

12.93

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4789-4769 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4789-4769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4769?
Check Price and Availability of 4789-4769, 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 4789-4769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4769
  • 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 4789-4769 available by request