S338-0161 Screening compound: 3-(4-methylphenyl)-5-[1-(3,4,5-triethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

S338-0161 Screening compound: 3-(4-methylphenyl)-5-[1-(3,4,5-triethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
S338-0161 Screening compound: 3-(4-methylphenyl)-5-[1-(3,4,5-triethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0161
3-(4-methylphenyl)-5-[1-(3,4,5-triethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

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

S338-0161

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

3-(4-methylphenyl)-5-[1-(3,4,5-triethoxybenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazole

IUPAC name

3-(4-methylphenyl)-5-[(2S)-1-(345-triethoxybenzoyl)pyrrolidin-2-yl]-124-oxadiazole

SMILES

CCOc1cc(C(N(CCC2)[C@@H]2c2nc(-c3ccc(C)cc3)no2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H31N3O5/c1-5-31-21-15-19(16-22(32-6-2)23(21)33-7-3)26(30)29-14-8-9-20(29)25-27-24(28-34-25)18-12-10-17(4)11-13-18/h10-13,15-16,20H,5-9,14H2,1-4H3/t20-/m0/s1

InChI Key

VQZVJLCURKAFSG-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-4.84

Polar Surface Area

70.070

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-5.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

S338-0161 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S338-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0161?
Check Price and Availability of S338-0161, 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 S338-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0161
  • 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 S338-0161 available by request