S935-0304 Screening compound: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

S935-0304 Screening compound: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
S935-0304 Screening compound: 2-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S935-0304
2-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

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

S935-0304

Molecular Formula

C16H22N4O3S (C16 H22 N4 O3 S)

Compound Name

2-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide

IUPAC name

2-[(5-benzyl-124-oxadiazol-3-yl)methyl]-NN-dimethylpyrrolidine-1-sulfonamide

SMILES

CN(C)S(N1C(Cc2noc(Cc3ccccc3)n2)CCC1)(=O)=O

InChI

InChI=1S/C16H22N4O3S/c1-19(2)24(21,22)20-10-6-9-14(20)12-15-17-16(23-18-15)11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3/t14-/m1/s1

InChI Key

IMMAZYGTULTKFV-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31993686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.029

Distribution Coefficient, logD

2.029

Water Solubility, LogSw

-2.46

Polar Surface Area

69.159

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-3.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S935-0304 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S935-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S935-0304?
Check Price and Availability of S935-0304, 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 S935-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S935-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S935-0304
  • 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 S935-0304 available by request