S338-0462 Screening compound: 5-[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

S338-0462 Screening compound: 5-[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
S338-0462 Screening compound: 5-[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0462
5-[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-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

S338-0462

Molecular Formula

C21H20ClN3O4 (C21 H20 ClN3 O4)

Compound Name

5-[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-[(2S)-1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-3-(4-methoxyphenyl)-124-oxadiazole

SMILES

COc(cc1)ccc1-c1noc([C@H](CCC2)N2C(c(ccc(Cl)c2)c2OC)=O)n1

InChI

InChI=1S/C21H20ClN3O4/c1-27-15-8-5-13(6-9-15)19-23-20(29-24-19)17-4-3-11-25(17)21(26)16-10-7-14(22)12-18(16)28-2/h5-10,12,17H,3-4,11H2,1-2H3/t17-/m0/s1

InChI Key

NYXBEIGEBKJZTG-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.893

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.96

Polar Surface Area

63.527

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

-6.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S338-0462 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Targets:
  • Ion Channels
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S338-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0462?
Check Price and Availability of S338-0462, 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 S338-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0462
  • 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 S338-0462 available by request