M005-0161 Screening compound: 2-[3-(benzenesulfonyl)-6-methyl-2-oxo-1,2-dihydroquinolin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

M005-0161 Screening compound: 2-[3-(benzenesulfonyl)-6-methyl-2-oxo-1,2-dihydroquinolin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
M005-0161 Screening compound: 2-[3-(benzenesulfonyl)-6-methyl-2-oxo-1,2-dihydroquinolin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M005-0161
2-[3-(benzenesulfonyl)-6-methyl-2-oxo-1,2-dihydroquinolin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]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

M005-0161

Molecular Formula

C26H22N2O6S (C26 H22 N2 O6 S)

Compound Name

2-[3-(benzenesulfonyl)-6-methyl-2-oxo-1,2-dihydroquinolin-1-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide

IUPAC name

2-[3-(benzenesulfonyl)-6-methyl-2-oxo-12-dihydroquinolin-1-yl]-N-[(2H-13-benzodioxol-5-yl)methyl]acetamide

SMILES

Cc(cc1)cc(C=C2S(c3ccccc3)(=O)=O)c1N(CC(NCc(cc1)cc3c1OCO3)=O)C2=O

InChI

InChI=1S/C26H22N2O6S/c1-17-7-9-21-19(11-17)13-24(35(31,32)20-5-3-2-4-6-20)26(30)28(21)15-25(29)27-14-18-8-10-22-23(12-18)34-16-33-22/h2-13H,14-16H2,1H3,(H,27,29)

InChI Key

JTQHZWIGJAFGES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.86

Polar Surface Area

86.429

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

M005-0161 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with M005-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M005-0161?
Check Price and Availability of M005-0161, 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 M005-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M005-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M005-0161
  • 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 M005-0161 available by request