F369-0490 Screening compound: N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

F369-0490 Screening compound: N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide
F369-0490 Screening compound: N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F369-0490
N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

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

F369-0490

Molecular Formula

C22H20FN3O2S2 (C22 H20 FN3 O2 S2)

Compound Name

N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H,4H,5H-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide

IUPAC name

N-(butan-2-yl)-2-[3-(4-fluorophenyl)-5-oxo-1-sulfanylidene-1H4H5H-[13]thiazolo[34-a]quinazolin-4-yl]acetamide

SMILES

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

InChI

InChI=1S/C22H20FN3O2S2/c1-3-13(2)24-18(27)12-25-20-19(14-8-10-15(23)11-9-14)30-22(29)26(20)17-7-5-4-6-16(17)21(25)28/h4-11,13H,3,12H2,1-2H3,(H,24,27)/t13-/m0/s1

InChI Key

SMLUQNAIWDQAQI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27120140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.22

Polar Surface Area

41.972

Acid Dissociation Constant (pKa)

16.41

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

F369-0490 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)

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 F369-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F369-0490?
Check Price and Availability of F369-0490, 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 F369-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F369-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F369-0490
  • 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 F369-0490 available by request