E754-0428 Screening compound: ethyl 9-(4-ethoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate

E754-0428 Screening compound: ethyl 9-(4-ethoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate
E754-0428 Screening compound: ethyl 9-(4-ethoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-0428
ethyl 9-(4-ethoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-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

E754-0428

Molecular Formula

C22H21NO6 (C22 H21 NO6)

Compound Name

ethyl 9-(4-ethoxyphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate

IUPAC name

ethyl 9-(4-ethoxyphenyl)-2-oxo-2H8H9H10H-chromeno[87-e][13]oxazine-3-carboxylate

SMILES

CCOC(C1=Cc(ccc(OC2)c3CN2c(cc2)ccc2OCC)c3OC1=O)=O

InChI

InChI=1S/C22H21NO6/c1-3-26-16-8-6-15(7-9-16)23-12-18-19(28-13-23)10-5-14-11-17(21(24)27-4-2)22(25)29-20(14)18/h5-11H,3-4,12-13H2,1-2H3

InChI Key

NYBCKPHXIJCSIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.30

Polar Surface Area

61.026

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E754-0428 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E754-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-0428?
Check Price and Availability of E754-0428, 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 E754-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-0428
  • 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 E754-0428 available by request