E594-0464 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-chromen-2-one

E594-0464 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-chromen-2-one
E594-0464 Screening compound: 3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0464
3-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-fluoro-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

E594-0464

Molecular Formula

C18H9FN2O5 (C18 H9 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C1Oc(ccc(F)c2)c2C=C1c1nc(-c(cc2)cc3c2OCO3)no1

InChI

InChI=1S/C18H9FN2O5/c19-11-2-4-13-10(5-11)6-12(18(22)25-13)17-20-16(21-26-17)9-1-3-14-15(7-9)24-8-23-14/h1-7H,8H2

InChI Key

FVKYJVLVFCVUPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10666884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-4.22

Polar Surface Area

69.681

Acid Dissociation Constant (pKa)

37.46

Base Dissociation Constant (pKb)

-8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

E594-0464 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E594-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0464?
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What is the minimum amount of E594-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0464
  • 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 E594-0464 available by request