E594-0023 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-chromen-2-one

E594-0023 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-chromen-2-one
E594-0023 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0023
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-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

E594-0023

Molecular Formula

C18H10N2O6 (C18 H10 N2 O6)

Compound Name

3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-8-hydroxy-2H-chromen-2-one

IUPAC name

3-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-8-hydroxy-2H-chromen-2-one

SMILES

Oc(cccc1C=C2c3nc(-c(cc4)cc5c4OCO5)no3)c1OC2=O

InChI

InChI=1S/C18H10N2O6/c21-12-3-1-2-9-6-11(18(22)25-15(9)12)17-19-16(20-26-17)10-4-5-13-14(7-10)24-8-23-13/h1-7,21H,8H2

InChI Key

MUMVDUZPGPJNBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.453

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.44

Polar Surface Area

85.914

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

E594-0023 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E594-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0023?
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What is the minimum amount of E594-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0023
  • 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 E594-0023 available by request