8016-5403 Screening compound: 2,3-dimethyl-7,8-dihydro-4H,6H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-4-one

8016-5403 Screening compound: 2,3-dimethyl-7,8-dihydro-4H,6H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-4-one
8016-5403 Screening compound: 2,3-dimethyl-7,8-dihydro-4H,6H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5403
2,3-dimethyl-7,8-dihydro-4H,6H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-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

8016-5403

Molecular Formula

C11H12N2OS2 (C11 H12 N2 OS2)

Compound Name

2,3-dimethyl-7,8-dihydro-4H,6H-thieno[2',3':4,5]pyrimido[2,1-b][1,3]thiazin-4-one

IUPAC name

45-dimethyl-610-dithia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-trien-2-one

SMILES

Cc1c(C)sc(N=C2SCCCN22)c1C2=O

InChI

InChI=1S/C11H12N2OS2/c1-6-7(2)16-9-8(6)10(14)13-4-3-5-15-11(13)12-9/h3-5H2,1-2H3

InChI Key

FAGUTPWOTHLFHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05857190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.667

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-2.55

Polar Surface Area

25.894

Acid Dissociation Constant (pKa)

27.76

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

8016-5403 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-5403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5403?
Check Price and Availability of 8016-5403, 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 8016-5403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5403
  • 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 8016-5403 available by request