F083-0258 Screening compound: 7-bromo-N-(3,4-dimethylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

F083-0258 Screening compound: 7-bromo-N-(3,4-dimethylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
F083-0258 Screening compound: 7-bromo-N-(3,4-dimethylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F083-0258
7-bromo-N-(3,4-dimethylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

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

F083-0258

Molecular Formula

C19H14BrN3O2S2 (C19 H14 BrN3 O2 S2)

Compound Name

7-bromo-N-(3,4-dimethylphenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide

IUPAC name

7-bromo-N-(34-dimethylphenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazoline-3-carboxamide

SMILES

Cc(cc1)c(C)cc1NC(C(SC1=S)=C(N2)N1c(ccc(Br)c1)c1C2=O)=O

InChI

InChI=1S/C19H14BrN3O2S2/c1-9-3-5-12(7-10(9)2)21-18(25)15-16-22-17(24)13-8-11(20)4-6-14(13)23(16)19(26)27-15/h3-8H,1-2H3,(H,21,25)(H,22,24)

InChI Key

HKTFTMGORLTMEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27100433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.789

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-4.55

Polar Surface Area

50.067

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F083-0258 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 F083-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F083-0258?
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What is the minimum amount of F083-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F083-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F083-0258
  • 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 F083-0258 available by request