F401-0519 Screening compound: 4-(2-ethoxybenzyl)-1-[(mesitylmethyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0519 Screening compound: 4-(2-ethoxybenzyl)-1-[(mesitylmethyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0519 Screening compound: 4-(2-ethoxybenzyl)-1-[(mesitylmethyl)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 F401-0519
4-(2-ethoxybenzyl)-1-[(mesitylmethyl)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

F401-0519

Molecular Formula

C26H26N4O2S2 (C26 H26 N4 O2 S2)

Compound Name

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

IUPAC name

8-[(2-ethoxyphenyl)methyl]-12-{[(246-trimethylphenyl)methyl]sulfanyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCOc1c(CN(c(n2-c3c4scc3)nnc2SCc2c(C)cc(C)cc2C)C4=O)cccc1

InChI

InChI=1S/C26H26N4O2S2/c1-5-32-22-9-7-6-8-19(22)14-29-24(31)23-21(10-11-33-23)30-25(29)27-28-26(30)34-15-20-17(3)12-16(2)13-18(20)4/h6-13H,5,14-15H2,1-4H3

InChI Key

JBFDWZDYNISYBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.65

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

6.693

Distribution Coefficient, logD

6.693

Water Solubility, LogSw

-5.57

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

26.90

References: we are preparing a list of scientific research reports with F401-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0519?
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What is the minimum amount of F401-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0519
  • 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 F401-0519 available by request