F401-0287 Screening compound: 4-(3,4-dimethoxyphenethyl)-1-[(3-fluorobenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0287 Screening compound: 4-(3,4-dimethoxyphenethyl)-1-[(3-fluorobenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0287 Screening compound: 4-(3,4-dimethoxyphenethyl)-1-[(3-fluorobenzyl)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 F401-0287
4-(3,4-dimethoxyphenethyl)-1-[(3-fluorobenzyl)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

F401-0287

Molecular Formula

C24H21FN4O3S2 (C24 H21 FN4 O3 S2)

Compound Name

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

IUPAC name

8-[2-(34-dimethoxyphenyl)ethyl]-12-{[(3-fluorophenyl)methyl]sulfanyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

COc(ccc(CCN(c(n1-c2c3scc2)nnc1SCc1cc(F)ccc1)C3=O)c1)c1OC

InChI

InChI=1S/C24H21FN4O3S2/c1-31-19-7-6-15(13-20(19)32-2)8-10-28-22(30)21-18(9-11-33-21)29-23(28)26-27-24(29)34-14-16-4-3-5-17(25)12-16/h3-7,9,11-13H,8,10,14H2,1-2H3

InChI Key

ZVRCTRPLSNMFAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.40

Polar Surface Area

55.570

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

F401-0287 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 F401-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0287?
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What is the minimum amount of F401-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0287
  • 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 F401-0287 available by request