E594-0278 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

E594-0278 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate
E594-0278 Screening compound: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0278
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

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

E594-0278

Molecular Formula

C20H14N2O6 (C20 H14 N2 O6)

Compound Name

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

IUPAC name

3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

SMILES

CC(Oc(cccc1C=C2c3nc(-c(cc4)ccc4OC)no3)c1OC2=O)=O

InChI

InChI=1S/C20H14N2O6/c1-11(23)26-16-5-3-4-13-10-15(20(24)27-17(13)16)19-21-18(22-28-19)12-6-8-14(25-2)9-7-12/h3-10H,1-2H3

InChI Key

YRSBQGFYCCDYCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.34

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.685

Water Solubility, LogSw

-4.17

Polar Surface Area

80.632

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E594-0278 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 E594-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0278?
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What is the minimum amount of E594-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0278
  • 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 E594-0278 available by request