E594-0459 Screening compound: 8-methyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one

E594-0459 Screening compound: 8-methyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one
E594-0459 Screening compound: 8-methyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0459
8-methyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-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

E594-0459

Molecular Formula

C21H18N2O6 (C21 H18 N2 O6)

Compound Name

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

IUPAC name

8-methyl-3-[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]-2H-chromen-2-one

SMILES

Cc1cccc(C=C2c3nc(-c(cc4OC)cc(OC)c4OC)no3)c1OC2=O

InChI

InChI=1S/C21H18N2O6/c1-11-6-5-7-12-8-14(21(24)28-17(11)12)20-22-19(23-29-20)13-9-15(25-2)18(27-4)16(10-13)26-3/h5-10H,1-4H3

InChI Key

OQHOGIZNWBSVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11834844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

3.883

Water Solubility, LogSw

-4.28

Polar Surface Area

75.228

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-7.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E594-0459 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E594-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0459?
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What is the minimum amount of E594-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0459
  • 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 E594-0459 available by request