6079-1809 Screening compound: 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

6079-1809 Screening compound: 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
6079-1809 Screening compound: 5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1809
5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-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

6079-1809

Molecular Formula

C21H17NO5S (C21 H17 NO5 S)

Compound Name

5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

IUPAC name

5-(34-dimethoxyphenyl)-2-(4-methoxyphenyl)-4H-thieno[23-d][13]oxazin-4-one

SMILES

COc(cc1)ccc1C(O1)=Nc(scc2-c(cc3)cc(OC)c3OC)c2C1=O

InChI

InChI=1S/C21H17NO5S/c1-24-14-7-4-12(5-8-14)19-22-20-18(21(23)27-19)15(11-28-20)13-6-9-16(25-2)17(10-13)26-3/h4-11H,1-3H3

InChI Key

SCXYXXRLDKCPNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02181490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.858

Distribution Coefficient, logD

3.858

Water Solubility, LogSw

-4.28

Polar Surface Area

52.621

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6079-1809 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 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
Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 6079-1809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1809?
Check Price and Availability of 6079-1809, 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 6079-1809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1809
  • 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 6079-1809 available by request