S338-0017 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(2-methoxyphenyl)ethan-1-one

S338-0017 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(2-methoxyphenyl)ethan-1-one
S338-0017 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(2-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0017
1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(2-methoxyphenyl)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

S338-0017

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

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

IUPAC name

1-[(2S)-2-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one

SMILES

COc1c(CC(N(CCC2)[C@@H]2c2nc(-c(cccc3)c3Cl)no2)=O)cccc1

InChI

InChI=1S/C21H20ClN3O3/c1-27-18-11-5-2-7-14(18)13-19(26)25-12-6-10-17(25)21-23-20(24-28-21)15-8-3-4-9-16(15)22/h2-5,7-9,11,17H,6,10,12-13H2,1H3/t17-/m0/s1

InChI Key

AKTWHTSEMIMQPG-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.390

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.55

Polar Surface Area

55.455

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S338-0017 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 S338-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0017?
Check Price and Availability of S338-0017, 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 S338-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0017
  • 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 S338-0017 available by request