S959-3447 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide

S959-3447 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide
S959-3447 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-3447
N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)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

S959-3447

Molecular Formula

C16H23N3O5S (C16 H23 N3 O5 S)

Compound Name

N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide

IUPAC name

N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-2-(3-methylphenoxy)acetamide

SMILES

Cc1cccc(OCC(NCCN(CCC2NS(C)(=O)=O)C2=O)=O)c1

InChI

InChI=1S/C16H23N3O5S/c1-12-4-3-5-13(10-12)24-11-15(20)17-7-9-19-8-6-14(16(19)21)18-25(2,22)23/h3-5,10,14,18H,6-9,11H2,1-2H3,(H,17,20)/t14-/m0/s1

InChI Key

FTKXMTXDWXMXLM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.270

Distribution Coefficient, logD

-0.270

Water Solubility, LogSw

-2.24

Polar Surface Area

92.126

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S959-3447 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S959-3447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-3447?
Check Price and Availability of S959-3447, 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 S959-3447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-3447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-3447
  • 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 S959-3447 available by request