F401-0526 Screening compound: 1-[(3-chlorobenzyl)sulfanyl]-4-(4-propoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0526 Screening compound: 1-[(3-chlorobenzyl)sulfanyl]-4-(4-propoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0526 Screening compound: 1-[(3-chlorobenzyl)sulfanyl]-4-(4-propoxybenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0526
1-[(3-chlorobenzyl)sulfanyl]-4-(4-propoxybenzyl)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

F401-0526

Molecular Formula

C24H21ClN4O2S2 (C24 H21 ClN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CN(c(n2-c3c4scc3)nnc2SCc2cccc(Cl)c2)C4=O)cc1

InChI

InChI=1S/C24H21ClN4O2S2/c1-2-11-31-19-8-6-16(7-9-19)14-28-22(30)21-20(10-12-32-21)29-23(28)26-27-24(29)33-15-17-4-3-5-18(25)13-17/h3-10,12-13H,2,11,14-15H2,1H3

InChI Key

QJSDYNDLCVGDGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.324

Distribution Coefficient, logD

6.324

Water Solubility, LogSw

-6.06

Polar Surface Area

47.748

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with F401-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0526?
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What is the minimum amount of F401-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0526
  • 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 F401-0526 available by request