C228-0631 Screening compound: 2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

C228-0631 Screening compound: 2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide
C228-0631 Screening compound: 2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C228-0631
2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

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

C228-0631

Molecular Formula

C23H19ClN2O2S (C23 H19 ClN2 O2 S)

Compound Name

2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

IUPAC name

2-(5-chlorothiophen-2-yl)-N-[(2-ethoxyphenyl)methyl]quinoline-4-carboxamide

SMILES

CCOc1c(CNC(c2cc(-c(s3)ccc3Cl)nc3ccccc23)=O)cccc1

InChI

InChI=1S/C23H19ClN2O2S/c1-2-28-20-10-6-3-7-15(20)14-25-23(27)17-13-19(21-11-12-22(24)29-21)26-18-9-5-4-8-16(17)18/h3-13H,2,14H2,1H3,(H,25,27)

InChI Key

ATCPIBQRGNBXHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14733691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.499

Distribution Coefficient, logD

6.499

Water Solubility, LogSw

-6.17

Polar Surface Area

40.940

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C228-0631 in Drug Discovery

Included in Screening Libraries

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 C228-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C228-0631?
Check Price and Availability of C228-0631, 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 C228-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C228-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C228-0631
  • 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 C228-0631 available by request