S959-3462 Screening compound: 1-(3-chlorophenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea

S959-3462 Screening compound: 1-(3-chlorophenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea
S959-3462 Screening compound: 1-(3-chlorophenyl)-3-[2-(3-methanesulfonamido-2-oxopyrrolidin-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S959-3462
1-(3-chlorophenyl)-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

S959-3462

Molecular Formula

C14H19ClN4O4S (C14 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CS(NC(CCN1CCNC(Nc2cccc(Cl)c2)=O)C1=O)(=O)=O

InChI

InChI=1S/C14H19ClN4O4S/c1-24(22,23)18-12-5-7-19(13(12)20)8-6-16-14(21)17-11-4-2-3-10(15)9-11/h2-4,9,12,18H,5-8H2,1H3,(H2,16,17,21)/t12-/m1/s1

InChI Key

GLASKJLISHCITL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD32231949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.85

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

0.703

Distribution Coefficient, logD

0.703

Water Solubility, LogSw

-2.67

Polar Surface Area

94.052

Acid Dissociation Constant (pKa)

11.18

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

S959-3462 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 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 S959-3462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S959-3462?
Check Price and Availability of S959-3462, 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 S959-3462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S959-3462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S959-3462
  • 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 S959-3462 available by request