S341-0602 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazole-3-carboxamide

S341-0602 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazole-3-carboxamide
S341-0602 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0602
5-(2H-1,3-benzodioxol-5-yl)-N-[2-(3-methylphenyl)ethyl]-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

S341-0602

Molecular Formula

C19H17N3O4 (C19 H17 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(CCNC(c2noc(-c(cc3)cc4c3OCO4)n2)=O)c1

InChI

InChI=1S/C19H17N3O4/c1-12-3-2-4-13(9-12)7-8-20-18(23)17-21-19(26-22-17)14-5-6-15-16(10-14)25-11-24-15/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)

InChI Key

KPNLGUKXBVSKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.63

Polar Surface Area

73.286

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S341-0602 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S341-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0602?
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What is the minimum amount of S341-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0602
  • 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 S341-0602 available by request