S338-0979 Screening compound: 2-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-1H-indole

S338-0979 Screening compound: 2-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-1H-indole
S338-0979 Screening compound: 2-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0979
2-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-1H-indole

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

S338-0979

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

2-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl}-1H-indole

IUPAC name

2-[(2S)-2-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]pyrrolidine-1-carbonyl]-1H-indole

SMILES

COc(ccc(-c1noc([C@H](CCC2)N2C(c2cc(cccc3)c3[nH]2)=O)n1)c1)c1OC

InChI

InChI=1S/C23H22N4O4/c1-29-19-10-9-15(13-20(19)30-2)21-25-22(31-26-21)18-8-5-11-27(18)23(28)17-12-14-6-3-4-7-16(14)24-17/h3-4,6-7,9-10,12-13,18,24H,5,8,11H2,1-2H3/t18-/m0/s1

InChI Key

HQZDSHUAPSNJKL-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.411

Distribution Coefficient, logD

4.411

Water Solubility, LogSw

-4.38

Polar Surface Area

72.962

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

S338-0979 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Indole Derivatives (10091 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Protein-Protein Interaction Library (218420 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
  • Nervous system
  • Eye
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S338-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0979?
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What is the minimum amount of S338-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0979
  • 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 S338-0979 available by request