S333-0360 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]ethan-1-one

S333-0360 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]ethan-1-one
S333-0360 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0360
1-(2,3-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]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

S333-0360

Molecular Formula

C22H18N4O2 (C22 H18 N4 O2)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrol-1-yl]ethan-1-one

IUPAC name

1-(23-dihydro-1H-indol-1-yl)-2-[2-(3-phenyl-124-oxadiazol-5-yl)-1H-pyrrol-1-yl]ethan-1-one

SMILES

O=C(Cn1c(-c2nc(-c3ccccc3)no2)ccc1)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H18N4O2/c27-20(26-14-12-16-7-4-5-10-18(16)26)15-25-13-6-11-19(25)22-23-21(24-28-22)17-8-2-1-3-9-17/h1-11,13H,12,14-15H2

InChI Key

NCKJVFUQJNIEFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

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

4.306

Distribution Coefficient, logD

4.306

Water Solubility, LogSw

-4.34

Polar Surface Area

48.657

Acid Dissociation Constant (pKa)

20.90

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S333-0360 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S333-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0360?
Check Price and Availability of S333-0360, 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 S333-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0360
  • 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 S333-0360 available by request