S333-0810 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethan-1-one

S333-0810 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethan-1-one
S333-0810 Screening compound: 1-(2,3-dihydro-1H-indol-1-yl)-2-{2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0810
1-(2,3-dihydro-1H-indol-1-yl)-2-{2-[3-(4-fluorophenyl)-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

S333-0810

Molecular Formula

C22H17FN4O2 (C22 H17 FN4 O2)

Compound Name

1-(2,3-dihydro-1H-indol-1-yl)-2-{2-[3-(4-fluorophenyl)-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-(4-fluorophenyl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}ethan-1-one

SMILES

O=C(Cn1c(-c2nc(-c(cc3)ccc3F)no2)ccc1)N(CC1)c2c1cccc2

InChI

InChI=1S/C22H17FN4O2/c23-17-9-7-16(8-10-17)21-24-22(29-25-21)19-6-3-12-26(19)14-20(28)27-13-11-15-4-1-2-5-18(15)27/h1-10,12H,11,13-14H2

InChI Key

GHUCCWIYKGYEBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18195899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

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

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.45

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

S333-0810 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Eye
  • Cancer
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
  • Agro
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S333-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0810?
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What is the minimum amount of S333-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0810
  • 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 S333-0810 available by request