S338-0039 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one

S338-0039 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one
S338-0039 Screening compound: 1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0039
1-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl}-2-(3,4-diethoxyphenyl)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

S338-0039

Molecular Formula

C24H26ClN3O4 (C24 H26 ClN3 O4)

Compound Name

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

IUPAC name

1-[(2S)-2-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(34-diethoxyphenyl)ethan-1-one

SMILES

CCOc(ccc(CC(N(CCC1)[C@@H]1c1nc(-c(cccc2)c2Cl)no1)=O)c1)c1OCC

InChI

InChI=1S/C24H26ClN3O4/c1-3-30-20-12-11-16(14-21(20)31-4-2)15-22(29)28-13-7-10-19(28)24-26-23(27-32-24)17-8-5-6-9-18(17)25/h5-6,8-9,11-12,14,19H,3-4,7,10,13,15H2,1-2H3/t19-/m0/s1

InChI Key

WHPBXLYJNFQNBY-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.54

Polar Surface Area

62.246

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S338-0039 in Drug Discovery

Included in Screening Libraries

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

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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:
  • Mimetics

References: we are preparing a list of scientific research reports with S338-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0039?
Check Price and Availability of S338-0039, 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 S338-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0039
  • 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 S338-0039 available by request