E594-0460 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2H-chromen-2-one

E594-0460 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2H-chromen-2-one
E594-0460 Screening compound: 3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0460
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methyl-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

E594-0460

Molecular Formula

C20H16N2O5 (C20 H16 N2 O5)

Compound Name

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

IUPAC name

3-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-8-methyl-2H-chromen-2-one

SMILES

Cc1cccc(C=C2c3nc(-c(cc4)cc(OC)c4OC)no3)c1OC2=O

InChI

InChI=1S/C20H16N2O5/c1-11-5-4-6-12-9-14(20(23)26-17(11)12)19-21-18(22-27-19)13-7-8-15(24-2)16(10-13)25-3/h4-10H,1-3H3

InChI Key

VWWNRGAYBNOFRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10666882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

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

4.023

Distribution Coefficient, logD

4.023

Water Solubility, LogSw

-4.46

Polar Surface Area

67.511

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E594-0460 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E594-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0460?
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What is the minimum amount of E594-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0460
  • 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 E594-0460 available by request