F369-0493 Screening compound: 3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

F369-0493 Screening compound: 3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one
F369-0493 Screening compound: 3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F369-0493
3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-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

F369-0493

Molecular Formula

C22H18FN3O2S2 (C22 H18 FN3 O2 S2)

Compound Name

3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-5-one

IUPAC name

3-(4-fluorophenyl)-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-5-one

SMILES

O=C(CN(C(N1c2c3cccc2)=C(c(cc2)ccc2F)SC1=S)C3=O)N1CCCC1

InChI

InChI=1S/C22H18FN3O2S2/c23-15-9-7-14(8-10-15)19-20-25(13-18(27)24-11-3-4-12-24)21(28)16-5-1-2-6-17(16)26(20)22(29)30-19/h1-2,5-10H,3-4,11-13H2

InChI Key

CMGGGALRGIRTSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27120141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.756

Water Solubility, LogSw

-4.15

Polar Surface Area

34.546

Acid Dissociation Constant (pKa)

25.68

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

F369-0493 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F369-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F369-0493?
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What is the minimum amount of F369-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F369-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F369-0493
  • 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 F369-0493 available by request