S959-3390 Screening compound: 1-(3,4-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea

S959-3390 Screening compound: 1-(3,4-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea
S959-3390 Screening compound: 1-(3,4-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-3390
1-(3,4-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea

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

S959-3390

Molecular Formula

C16H24N4O4S (C16 H24 N4 O4 S)

Compound Name

1-(3,4-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea

IUPAC name

1-(34-dimethylphenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea

SMILES

Cc(cc1)c(C)cc1NC(NCCN(CCC1NS(C)(=O)=O)C1=O)=O

InChI

InChI=1S/C16H24N4O4S/c1-11-4-5-13(10-12(11)2)18-16(22)17-7-9-20-8-6-14(15(20)21)19-25(3,23)24/h4-5,10,14,19H,6-9H2,1-3H3,(H2,17,18,22)/t14-/m0/s1

InChI Key

TXLVBVSGRSOJJI-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32231868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.937

Distribution Coefficient, logD

0.936

Water Solubility, LogSw

-2.38

Polar Surface Area

94.052

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S959-3390 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S959-3390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-3390?
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What is the minimum amount of S959-3390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-3390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-3390
  • 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 S959-3390 available by request