C228-0604 Screening compound: ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate

C228-0604 Screening compound: ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate
C228-0604 Screening compound: ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C228-0604
ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate

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

C228-0604

Molecular Formula

C23H17ClN2O3S (C23 H17 ClN2 O3 S)

Compound Name

ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate

IUPAC name

ethyl 3-[2-(5-chlorothiophen-2-yl)quinoline-4-amido]benzoate

SMILES

CCOC(c1cccc(NC(c2cc(-c(s3)ccc3Cl)nc3ccccc23)=O)c1)=O

InChI

InChI=1S/C23H17ClN2O3S/c1-2-29-23(28)14-6-5-7-15(12-14)25-22(27)17-13-19(20-10-11-21(24)30-20)26-18-9-4-3-8-16(17)18/h3-13H,2H2,1H3,(H,25,27)

InChI Key

VPMACHNUSJWIQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.708

Distribution Coefficient, logD

6.708

Water Solubility, LogSw

-6.26

Polar Surface Area

53.161

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C228-0604 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C228-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C228-0604?
Check Price and Availability of C228-0604, 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 C228-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C228-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C228-0604
  • 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 C228-0604 available by request