F083-0441 Screening compound: ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoate

F083-0441 Screening compound: ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoate
F083-0441 Screening compound: ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0441
ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoate

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

F083-0441

Molecular Formula

C21H17N3O4S2 (C21 H17 N3 O4 S2)

Compound Name

ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoate

IUPAC name

ethyl 4-{7-methyl-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(SC1=S)=C(N2)N1c(ccc(C)c1)c1C2=O)=O)=O

InChI

InChI=1S/C21H17N3O4S2/c1-3-28-20(27)12-5-7-13(8-6-12)22-19(26)16-17-23-18(25)14-10-11(2)4-9-15(14)24(17)21(29)30-16/h4-10H,3H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

NFQVXIXZQGKMCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.06

Polar Surface Area

70.821

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

F083-0441 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F083-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0441?
Check Price and Availability of F083-0441, 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 F083-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0441
  • 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 F083-0441 available by request