E754-1189 Screening compound: 9-[(2-methoxyphenyl)methyl]-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

E754-1189 Screening compound: 9-[(2-methoxyphenyl)methyl]-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one
E754-1189 Screening compound: 9-[(2-methoxyphenyl)methyl]-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E754-1189
9-[(2-methoxyphenyl)methyl]-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

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

E754-1189

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

9-[(2-methoxyphenyl)methyl]-4-methyl-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-2-one

IUPAC name

9-[(2-methoxyphenyl)methyl]-4-methyl-2H8H9H10H-chromeno[87-e][13]oxazin-2-one

SMILES

CC(c(ccc1c2CN(Cc(cccc3)c3OC)CO1)c2O1)=CC1=O

InChI

InChI=1S/C20H19NO4/c1-13-9-19(22)25-20-15(13)7-8-18-16(20)11-21(12-24-18)10-14-5-3-4-6-17(14)23-2/h3-9H,10-12H2,1-2H3

InChI Key

QEJONPFPGHBQHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05674688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.82

Polar Surface Area

40.545

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E754-1189 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E754-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E754-1189?
Check Price and Availability of E754-1189, 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 E754-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E754-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E754-1189
  • 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 E754-1189 available by request