S338-0864 Screening compound: [3-(dimethylamino)phenyl][(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

S338-0864 Screening compound: [3-(dimethylamino)phenyl][(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone
S338-0864 Screening compound: [3-(dimethylamino)phenyl][(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S338-0864
[3-(dimethylamino)phenyl][(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

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

S338-0864

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

[3-(dimethylamino)phenyl][(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-1-yl]methanone

IUPAC name

NN-dimethyl-3-[(2S)-2-(3-phenyl-124-oxadiazol-5-yl)pyrrolidine-1-carbonyl]aniline

SMILES

CN(C)c1cccc(C(N(CCC2)[C@@H]2c2nc(-c3ccccc3)no2)=O)c1

InChI

InChI=1S/C21H22N4O2/c1-24(2)17-11-6-10-16(14-17)21(26)25-13-7-12-18(25)20-22-19(23-27-20)15-8-4-3-5-9-15/h3-6,8-11,14,18H,7,12-13H2,1-2H3/t18-/m0/s1

InChI Key

SSDCWHHWKSOXJF-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

4.130

Water Solubility, LogSw

-4.21

Polar Surface Area

51.157

Acid Dissociation Constant (pKa)

25.80

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

S338-0864 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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
Targets:
  • Ion Channels
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S338-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S338-0864?
Check Price and Availability of S338-0864, 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 S338-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S338-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S338-0864
  • 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 S338-0864 available by request