S959-3519 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-3,4-dimethylbenzamide

S959-3519 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-3,4-dimethylbenzamide
S959-3519 Screening compound: N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-3,4-dimethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-3519
N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-3,4-dimethylbenzamide

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

S959-3519

Molecular Formula

C16H23N3O4S (C16 H23 N3 O4 S)

Compound Name

N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-3,4-dimethylbenzamide

IUPAC name

N-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]-34-dimethylbenzamide

SMILES

Cc(cc1)c(C)cc1C(NCCN(CCC1NS(C)(=O)=O)C1=O)=O

InChI

InChI=1S/C16H23N3O4S/c1-11-4-5-13(10-12(11)2)15(20)17-7-9-19-8-6-14(16(19)21)18-24(3,22)23/h4-5,10,14,18H,6-9H2,1-3H3,(H,17,20)/t14-/m0/s1

InChI Key

UQMMQELGYBYRPT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

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

0.492

Distribution Coefficient, logD

0.492

Water Solubility, LogSw

-2.33

Polar Surface Area

84.840

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S959-3519 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 S959-3519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-3519?
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What is the minimum amount of S959-3519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-3519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-3519
  • 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 S959-3519 available by request