S333-0478 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide

S333-0478 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide
S333-0478 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0478
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide

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

S333-0478

Molecular Formula

C25H24N4O4 (C25 H24 N4 O4)

Compound Name

2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide

IUPAC name

2-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-(4-phenylbutan-2-yl)acetamide

SMILES

CC(CCc1ccccc1)NC(Cn1c(-c2nc(-c(cc3)cc4c3OCO4)no2)ccc1)=O

InChI

InChI=1S/C25H24N4O4/c1-17(9-10-18-6-3-2-4-7-18)26-23(30)15-29-13-5-8-20(29)25-27-24(28-33-25)19-11-12-21-22(14-19)32-16-31-21/h2-8,11-14,17H,9-10,15-16H2,1H3,(H,26,30)/t17-/m0/s1

InChI Key

ZYJSYWKTWIBPFL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28041788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.134

Distribution Coefficient, logD

5.134

Water Solubility, LogSw

-5.07

Polar Surface Area

74.262

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

S333-0478 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S333-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0478?
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What is the minimum amount of S333-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0478
  • 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 S333-0478 available by request