F401-0022 Screening compound: 1-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-isopentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0022 Screening compound: 1-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-isopentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0022 Screening compound: 1-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-isopentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0022
1-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-isopentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-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

F401-0022

Molecular Formula

C19H18ClFN4OS2 (C19 H18 ClFN4 OS2)

Compound Name

1-[(2-chloro-4-fluorobenzyl)sulfanyl]-4-isopentylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

12-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-8-(3-methylbutyl)-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CC(C)CCN(c(n1-c2c3scc2)nnc1SCc(ccc(F)c1)c1Cl)C3=O

InChI

InChI=1S/C19H18ClFN4OS2/c1-11(2)5-7-24-17(26)16-15(6-8-27-16)25-18(24)22-23-19(25)28-10-12-3-4-13(21)9-14(12)20/h3-4,6,8-9,11H,5,7,10H2,1-2H3

InChI Key

HBOYDKTULVJJRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.92

Polar Surface Area

40.580

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

F401-0022 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F401-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0022?
Check Price and Availability of F401-0022, 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 F401-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0022
  • 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 F401-0022 available by request