F083-0342 Screening compound: 7,8-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

F083-0342 Screening compound: 7,8-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
F083-0342 Screening compound: 7,8-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0342
7,8-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-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

F083-0342

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

7,8-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

78-dimethoxy-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

COc(c(OC)c1)cc(C(NC2=C(C(N3CCCC3)=O)S3)=O)c1N2C3=S

InChI

InChI=1S/C17H17N3O4S2/c1-23-11-7-9-10(8-12(11)24-2)20-14(18-15(9)21)13(26-17(20)25)16(22)19-5-3-4-6-19/h7-8H,3-6H2,1-2H3,(H,18,21)

InChI Key

HLJJKWAWGZVYAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

1.802

Water Solubility, LogSw

-2.75

Polar Surface Area

59.251

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

F083-0342 in Drug Discovery

Included in Screening Libraries

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)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Kinases

References: we are preparing a list of scientific research reports with F083-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0342?
Check Price and Availability of F083-0342, 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 F083-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0342
  • 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 F083-0342 available by request