G853-0166 Screening compound: N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetamide

G853-0166 Screening compound: N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetamide
G853-0166 Screening compound: N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G853-0166
N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetamide

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

G853-0166

Molecular Formula

C24H26ClN3O4S (C24 H26 ClN3 O4 S)

Compound Name

N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-{6-[(4-methylpiperidin-1-yl)sulfonyl]-2-oxo-12-dihydroquinolin-1-yl}acetamide

SMILES

CC(CC1)CCN1S(c(cc1)cc(C=C2)c1N(CC(NCc(cc1)ccc1Cl)=O)C2=O)(=O)=O

InChI

InChI=1S/C24H26ClN3O4S/c1-17-10-12-27(13-11-17)33(31,32)21-7-8-22-19(14-21)4-9-24(30)28(22)16-23(29)26-15-18-2-5-20(25)6-3-18/h2-9,14,17H,10-13,15-16H2,1H3,(H,26,29)

InChI Key

LWYGTJRTASCSFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-4.19

Polar Surface Area

71.801

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G853-0166 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G853-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G853-0166?
Check Price and Availability of G853-0166, 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 G853-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G853-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G853-0166
  • 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 G853-0166 available by request