E594-0123 Screening compound: methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate

E594-0123 Screening compound: methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate
E594-0123 Screening compound: methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E594-0123
methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate

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

E594-0123

Molecular Formula

C20H14N2O6 (C20 H14 N2 O6)

Compound Name

methyl 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate

IUPAC name

methyl 3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]-2-oxo-2H-chromene-6-carboxylate

SMILES

COC(c(cc1)cc(C=C2c3nc(-c(cc4)ccc4OC)no3)c1OC2=O)=O

InChI

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

InChI Key

VGFJQXPFEGGYOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14901822

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

4.007

Distribution Coefficient, logD

4.007

Water Solubility, LogSw

-4.37

Polar Surface Area

81.283

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E594-0123 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E594-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E594-0123?
Check Price and Availability of E594-0123, 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 E594-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E594-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E594-0123
  • 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 E594-0123 available by request