F401-0469 Screening compound: 4-(4-isopropylbenzyl)-1-[(2-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0469 Screening compound: 4-(4-isopropylbenzyl)-1-[(2-methylbenzyl)sulfanyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0469 Screening compound: 4-(4-isopropylbenzyl)-1-[(2-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 F401-0469
4-(4-isopropylbenzyl)-1-[(2-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

F401-0469

Molecular Formula

C25H24N4OS2 (C25 H24 N4 OS2)

Compound Name

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

IUPAC name

12-{[(2-methylphenyl)methyl]sulfanyl}-8-{[4-(propan-2-yl)phenyl]methyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CC(C)c1ccc(CN(c(n2-c3c4scc3)nnc2SCc2c(C)cccc2)C4=O)cc1

InChI

InChI=1S/C25H24N4OS2/c1-16(2)19-10-8-18(9-11-19)14-28-23(30)22-21(12-13-31-22)29-24(28)26-27-25(29)32-15-20-7-5-4-6-17(20)3/h4-13,16H,14-15H2,1-3H3

InChI Key

BEGWVSVAZAJNOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.62

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

6.848

Distribution Coefficient, logD

6.848

Water Solubility, LogSw

-5.65

Polar Surface Area

40.330

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

F401-0469 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F401-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0469?
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What is the minimum amount of F401-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0469
  • 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 F401-0469 available by request