E754-0413 Screening compound: methyl 9-(3-methylphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate

E754-0413 Screening compound: methyl 9-(3-methylphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate
E754-0413 Screening compound: methyl 9-(3-methylphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-0413
methyl 9-(3-methylphenyl)-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

E754-0413

Molecular Formula

C20H17NO5 (C20 H17 NO5)

Compound Name

methyl 9-(3-methylphenyl)-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazine-3-carboxylate

IUPAC name

methyl 9-(3-methylphenyl)-2-oxo-2H8H9H10H-chromeno[87-e][13]oxazine-3-carboxylate

SMILES

Cc1cccc(N(C2)COc(cc3)c2c(O2)c3C=C(C(OC)=O)C2=O)c1

InChI

InChI=1S/C20H17NO5/c1-12-4-3-5-14(8-12)21-10-16-17(25-11-21)7-6-13-9-15(19(22)24-2)20(23)26-18(13)16/h3-9H,10-11H2,1-2H3

InChI Key

HVRSDDCFRUVNCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-4.25

Polar Surface Area

54.322

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E754-0413 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E754-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-0413?
Check Price and Availability of E754-0413, 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 E754-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-0413
  • 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 E754-0413 available by request