E594-0014 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one

E594-0014 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one
E594-0014 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0014
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one

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

E594-0014

Molecular Formula

C19H12N2O6 (C19 H12 N2 O6)

Compound Name

3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-6-methoxy-2H-chromen-2-one

SMILES

COc(cc1)cc(C=C2c3nc(-c(cc4)cc5c4OCO5)no3)c1OC2=O

InChI

InChI=1S/C19H12N2O6/c1-23-12-3-5-14-11(6-12)7-13(19(22)26-14)18-20-17(21-27-18)10-2-4-15-16(8-10)25-9-24-15/h2-8H,9H2,1H3

InChI Key

JUQVCPCTCQYFNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10657317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.749

Water Solubility, LogSw

-4.22

Polar Surface Area

77.225

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E594-0014 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E594-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0014?
Check Price and Availability of E594-0014, 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 E594-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0014
  • 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 E594-0014 available by request