F083-0396 Screening compound: 3-(morpholinocarbonyl)-1-thioxo[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one

F083-0396 Screening compound: 3-(morpholinocarbonyl)-1-thioxo[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one
F083-0396 Screening compound: 3-(morpholinocarbonyl)-1-thioxo[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0396
3-(morpholinocarbonyl)-1-thioxo[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-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

F083-0396

Molecular Formula

C16H13N3O5S2 (C16 H13 N3 O5 S2)

Compound Name

3-(morpholinocarbonyl)-1-thioxo[1,3]dioxolo[4,5-g][1,3]thiazolo[3,4-a]quinazolin-5(4H)-one

IUPAC name

5-(morpholine-4-carbonyl)-3-sulfanylidene-1214-dioxa-4-thia-27-diazatetracyclo[7.7.0.0^{26}.0^{1115}]hexadeca-1(9)51015-tetraen-8-one

SMILES

O=C(C(SC1=S)=C(N2)N1c(cc1OCOc1c1)c1C2=O)N1CCOCC1

InChI

InChI=1S/C16H13N3O5S2/c20-14-8-5-10-11(24-7-23-10)6-9(8)19-13(17-14)12(26-16(19)25)15(21)18-1-3-22-4-2-18/h5-6H,1-4,7H2,(H,17,20)

InChI Key

GNUJAURBAYJWOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-2.63

Polar Surface Area

68.648

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F083-0396 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with F083-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0396?
Check Price and Availability of F083-0396, 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 F083-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0396
  • 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 F083-0396 available by request