F369-0258 Screening compound: ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate

F369-0258 Screening compound: ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate
F369-0258 Screening compound: ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F369-0258
ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate

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

F369-0258

Molecular Formula

C26H24ClN3O4S2 (C26 H24 ClN3 O4 S2)

Compound Name

ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]acetyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(CN(C(N1c2c3cccc2)=C(c2cccc(Cl)c2)SC1=S)C3=O)=O)=O

InChI

InChI=1S/C26H24ClN3O4S2/c1-2-34-25(33)17-8-6-12-28(14-17)21(31)15-29-23-22(16-7-5-9-18(27)13-16)36-26(35)30(23)20-11-4-3-10-19(20)24(29)32/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m0/s1

InChI Key

BYVQMVZVOVATIX-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27120129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.08

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.63

Polar Surface Area

54.868

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

F369-0258 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)

Targeted Diversity Library (40567 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 F369-0258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F369-0258?
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What is the minimum amount of F369-0258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F369-0258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F369-0258
  • 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 F369-0258 available by request