S333-0470 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide

S333-0470 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
S333-0470 Screening compound: 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S333-0470
2-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyrrol-1-yl}-N-[3-(methylsulfanyl)phenyl]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

S333-0470

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1cc(NC(Cn2c(-c3nc(-c(cc4)cc5c4OCO5)no3)ccc2)=O)ccc1

InChI

InChI=1S/C22H18N4O4S/c1-31-16-5-2-4-15(11-16)23-20(27)12-26-9-3-6-17(26)22-24-21(25-30-22)14-7-8-18-19(10-14)29-13-28-18/h2-11H,12-13H2,1H3,(H,23,27)

InChI Key

HSGXXPAZXZBIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-4.75

Polar Surface Area

73.498

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

S333-0470 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S333-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S333-0470?
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What is the minimum amount of S333-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S333-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S333-0470
  • 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 S333-0470 available by request