6079-1905 Screening compound: 2-tert-butyl-5-(3,4-dimethoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one

6079-1905 Screening compound: 2-tert-butyl-5-(3,4-dimethoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one
6079-1905 Screening compound: 2-tert-butyl-5-(3,4-dimethoxyphenyl)-4H-thieno[2,3-d][1,3]oxazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6079-1905
2-tert-butyl-5-(3,4-dimethoxyphenyl)-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

6079-1905

Molecular Formula

C18H19NO4S (C18 H19 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(O1)=Nc(scc2-c(cc3)cc(OC)c3OC)c2C1=O

InChI

InChI=1S/C18H19NO4S/c1-18(2,3)17-19-15-14(16(20)23-17)11(9-24-15)10-6-7-12(21-4)13(8-10)22-5/h6-9H,1-5H3

InChI Key

LIUIVYXPPKWEBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02181487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.636

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.18

Polar Surface Area

45.349

Acid Dissociation Constant (pKa)

30.88

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6079-1905 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6079-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6079-1905?
Check Price and Availability of 6079-1905, 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 6079-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6079-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6079-1905
  • 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 6079-1905 available by request