F401-0511 Screening compound: 4-(2-ethoxybenzyl)-1-[(3-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0511 Screening compound: 4-(2-ethoxybenzyl)-1-[(3-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0511 Screening compound: 4-(2-ethoxybenzyl)-1-[(3-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0511
4-(2-ethoxybenzyl)-1-[(3-methylbenzyl)sulfanyl]thieno[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

F401-0511

Molecular Formula

C24H22N4O2S2 (C24 H22 N4 O2 S2)

Compound Name

4-(2-ethoxybenzyl)-1-[(3-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

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

SMILES

CCOc1c(CN(c(n2-c3c4scc3)nnc2SCc2cc(C)ccc2)C4=O)cccc1

InChI

InChI=1S/C24H22N4O2S2/c1-3-30-20-10-5-4-9-18(20)14-27-22(29)21-19(11-12-31-21)28-23(27)25-26-24(28)32-15-17-8-6-7-16(2)13-17/h4-13H,3,14-15H2,1-2H3

InChI Key

QQXKKSZFILVDCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.36

Polar Surface Area

47.541

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F401-0511 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 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
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F401-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0511?
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What is the minimum amount of F401-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0511
  • 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 F401-0511 available by request