C066-5693 Screening compound: ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate

C066-5693 Screening compound: ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate
C066-5693 Screening compound: ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5693
ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate

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

C066-5693

Molecular Formula

C12H10N2O5 (C12 H10 N2 O5)

Compound Name

ethyl 3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylate

IUPAC name

ethyl 3-(2H-13-benzodioxol-5-yl)-124-oxadiazole-5-carboxylate

SMILES

CCOC(c1nc(-c(cc2)cc3c2OCO3)no1)=O

InChI

InChI=1S/C12H10N2O5/c1-2-16-12(15)11-13-10(14-19-11)7-3-4-8-9(5-7)18-6-17-8/h3-5H,2,6H2,1H3

InChI Key

JKWFXOBNHJWNDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.739

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-2.99

Polar Surface Area

69.785

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C066-5693 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-5693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5693?
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What is the minimum amount of C066-5693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5693
  • 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 C066-5693 available by request