E594-0363 Screening compound: 6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

E594-0363 Screening compound: 6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate
E594-0363 Screening compound: 6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0363
6-tert-butyl-3-[3-(4-ethoxyphenyl)-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

E594-0363

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

6-tert-butyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

IUPAC name

6-tert-butyl-3-[3-(4-ethoxyphenyl)-124-oxadiazol-5-yl]-2-oxo-2H-chromen-8-yl acetate

SMILES

CCOc(cc1)ccc1-c1noc(C2=Cc3cc(C(C)(C)C)cc(OC(C)=O)c3OC2=O)n1

InChI

InChI=1S/C25H24N2O6/c1-6-30-18-9-7-15(8-10-18)22-26-23(33-27-22)19-12-16-11-17(25(3,4)5)13-20(31-14(2)28)21(16)32-24(19)29/h7-13H,6H2,1-5H3

InChI Key

VWSZKFBWEGDWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.067

Distribution Coefficient, logD

6.067

Water Solubility, LogSw

-5.52

Polar Surface Area

80.211

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with E594-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0363?
Check Price and Availability of E594-0363, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E594-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0363
  • 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 E594-0363 available by request