S333-0168 Screening compound: 3-({2-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-1H-PYRROL-1-YL}METHYL)PHENYL METHYL ETHER

S333-0168 Screening compound: 3-({2-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-1H-PYRROL-1-YL}METHYL)PHENYL METHYL ETHER
S333-0168 Screening compound: 3-({2-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-1H-PYRROL-1-YL}METHYL)PHENYL METHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0168
3-({2-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-1H-PYRROL-1-YL}METHYL)PHENYL METHYL ETHER

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

S333-0168

Molecular Formula

C20H16FN3O2 (C20 H16 FN3 O2)

Compound Name

3-({2-[3-(4-FLUOROPHENYL)-1,2,4-OXADIAZOL-5-YL]-1H-PYRROL-1-YL}METHYL)PHENYL METHYL ETHER

IUPAC name

n/a

SMILES

COc1cccc(Cn2c(-c3nc(-c(cc4)ccc4F)no3)ccc2)c1

InChI

InChI=1S/C20H16FN3O2/c1-25-17-5-2-4-14(12-17)13-24-11-3-6-18(24)20-22-19(23-26-20)15-7-9-16(21)10-8-15/h2-12H,13H2,1H3

InChI Key

GHQUZLYPXYWIFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.138

Distribution Coefficient, logD

5.138

Water Solubility, LogSw

-5.19

Polar Surface Area

40.777

Acid Dissociation Constant (pKa)

26.91

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

S333-0168 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S333-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0168?
Check Price and Availability of S333-0168, 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 S333-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0168
  • 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 S333-0168 available by request