S341-0582 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

S341-0582 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
S341-0582 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S341-0582
5-(2H-1,3-benzodioxol-5-yl)-N-[(2H-1,3-benzodioxol-5-yl)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

S341-0582

Molecular Formula

C18H13N3O6 (C18 H13 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1noc(-c(cc2)cc3c2OCO3)n1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H13N3O6/c22-17(19-7-10-1-3-12-14(5-10)25-8-23-12)16-20-18(27-21-16)11-2-4-13-15(6-11)26-9-24-13/h1-6H,7-9H2,(H,19,22)

InChI Key

AYSARIVAOJOTLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.827

Distribution Coefficient, logD

2.827

Water Solubility, LogSw

-3.29

Polar Surface Area

90.560

Acid Dissociation Constant (pKa)

14.32

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S341-0582 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S341-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S341-0582?
Check Price and Availability of S341-0582, 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 S341-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S341-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S341-0582
  • 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 S341-0582 available by request