S338-1053 Screening compound: 1-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one

S338-1053 Screening compound: 1-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one
S338-1053 Screening compound: 1-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-1053
1-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one

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

S338-1053

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

1-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(4-methylphenyl)ethan-1-one

IUPAC name

1-[(2S)-2-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethan-1-one

SMILES

Cc1ccc(CC(N(CCC2)[C@@H]2c2nc(-c(cc3)cc(OC)c3OC)no2)=O)cc1

InChI

InChI=1S/C23H25N3O4/c1-15-6-8-16(9-7-15)13-21(27)26-12-4-5-18(26)23-24-22(25-30-23)17-10-11-19(28-2)20(14-17)29-3/h6-11,14,18H,4-5,12-13H2,1-3H3/t18-/m0/s1

InChI Key

DKKJHLGLMQAUTA-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-4.26

Polar Surface Area

63.086

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

S338-1053 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S338-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-1053?
Check Price and Availability of S338-1053, 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 S338-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-1053
  • 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 S338-1053 available by request