F083-0454 Screening compound: 3-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoic acid

F083-0454 Screening compound: 3-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoic acid
F083-0454 Screening compound: 3-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0454
3-{7-methyl-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-amido}benzoic acid

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

F083-0454

Molecular Formula

C19H13N3O4S2 (C19 H13 N3 O4 S2)

Compound Name

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

IUPAC name

3-{7-methyl-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-amido}benzoic acid

SMILES

Cc(cc1)cc(C(NC2=C(C(Nc3cc(C(O)=O)ccc3)=O)S3)=O)c1N2C3=S

InChI

InChI=1S/C19H13N3O4S2/c1-9-5-6-13-12(7-9)16(23)21-15-14(28-19(27)22(13)15)17(24)20-11-4-2-3-10(8-11)18(25)26/h2-8H,1H3,(H,20,24)(H,21,23)(H,25,26)

InChI Key

FERXCLIIBISQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

0.569

Water Solubility, LogSw

-3.82

Polar Surface Area

78.475

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F083-0454 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 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:
  • Cancer
  • 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 F083-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0454?
Check Price and Availability of F083-0454, 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 F083-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0454
  • 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 F083-0454 available by request