S959-3319 Screening compound: 3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide

S959-3319 Screening compound: 3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide
S959-3319 Screening compound: 3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-3319
3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide

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

S959-3319

Molecular Formula

C15H20FN3O4S (C15 H20 FN3 O4 S)

Compound Name

3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide

IUPAC name

3-fluoro-N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-4-methylbenzamide

SMILES

Cc(ccc(C(NCCN(CCC1NS(C)(=O)=O)C1=O)=O)c1)c1F

InChI

InChI=1S/C15H20FN3O4S/c1-10-3-4-11(9-12(10)16)14(20)17-6-8-19-7-5-13(15(19)21)18-24(2,22)23/h3-4,9,13,18H,5-8H2,1-2H3,(H,17,20)/t13-/m0/s1

InChI Key

QCJRHUXHEIDYHL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31997879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.176

Distribution Coefficient, logD

0.175

Water Solubility, LogSw

-2.36

Polar Surface Area

84.840

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S959-3319 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S959-3319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-3319?
Check Price and Availability of S959-3319, 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 S959-3319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-3319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-3319
  • 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 S959-3319 available by request