G853-0202 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinolin-2-one

G853-0202 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinolin-2-one
G853-0202 Screening compound: 6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G853-0202
6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinolin-2-one

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

G853-0202

Molecular Formula

C26H29N3O4S (C26 H29 N3 O4 S)

Compound Name

6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-1,2-dihydroquinolin-2-one

IUPAC name

6-[(4-methylpiperidin-1-yl)sulfonyl]-1-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-12-dihydroquinolin-2-one

SMILES

CC(CC1)CCN1S(c(cc1)cc(C=C2)c1N(CC(N(CC1)Cc3c1cccc3)=O)C2=O)(=O)=O

InChI

InChI=1S/C26H29N3O4S/c1-19-10-14-28(15-11-19)34(32,33)23-7-8-24-21(16-23)6-9-25(30)29(24)18-26(31)27-13-12-20-4-2-3-5-22(20)17-27/h2-9,16,19H,10-15,17-18H2,1H3

InChI Key

XWCDBTNUQBUCJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.93

Polar Surface Area

63.384

Acid Dissociation Constant (pKa)

21.56

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G853-0202 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Bromodomain Modulators Library (5801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G853-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G853-0202?
Check Price and Availability of G853-0202, 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 G853-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G853-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G853-0202
  • 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 G853-0202 available by request