S650-3526 Screening compound: 3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

S650-3526 Screening compound: 3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
S650-3526 Screening compound: 3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S650-3526
3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

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

S650-3526

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

IUPAC name

3-(2-hydroxy-6-methoxyquinolin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

SMILES

COc(cc1cc2CCC(NCCc(cc3)ccc3S(N)(=O)=O)=O)ccc1nc2O

InChI

InChI=1S/C21H23N3O5S/c1-29-17-5-8-19-16(13-17)12-15(21(26)24-19)4-9-20(25)23-11-10-14-2-6-18(7-3-14)30(22,27)28/h2-3,5-8,12-13H,4,9-11H2,1H3,(H,23,25)(H,24,26)(H2,22,27,28)

InChI Key

BITOZPWWXSXSLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.199

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-2.46

Polar Surface Area

107.718

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

S650-3526 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with S650-3526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S650-3526?
Check Price and Availability of S650-3526, 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 S650-3526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S650-3526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S650-3526
  • 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 S650-3526 available by request