S341-0568 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

S341-0568 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
S341-0568 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0568
5-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

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

S341-0568

Molecular Formula

C18H15N3O4 (C18 H15 N3 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]-124-oxadiazole-3-carboxamide

SMILES

Cc1ccc(CNC(c2noc(-c(cc3)cc4c3OCO4)n2)=O)cc1

InChI

InChI=1S/C18H15N3O4/c1-11-2-4-12(5-3-11)9-19-17(22)16-20-18(25-21-16)13-6-7-14-15(8-13)24-10-23-14/h2-8H,9-10H2,1H3,(H,19,22)

InChI Key

DTKMMCYSMOTBNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.337

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.44

Polar Surface Area

73.445

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S341-0568 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with S341-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0568?
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What is the minimum amount of S341-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0568
  • 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 S341-0568 available by request