F401-0477 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

F401-0477 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
F401-0477 Screening compound: 1-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-isopropylbenzyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F401-0477
1-[(2,5-dimethylbenzyl)sulfanyl]-4-(4-isopropylbenzyl)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

F401-0477

Molecular Formula

C26H26N4OS2 (C26 H26 N4 OS2)

Compound Name

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

IUPAC name

12-{[(25-dimethylphenyl)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)ccc(C)c2)C4=O)cc1

InChI

InChI=1S/C26H26N4OS2/c1-16(2)20-9-7-19(8-10-20)14-29-24(31)23-22(11-12-32-23)30-25(29)27-28-26(30)33-15-21-13-17(3)5-6-18(21)4/h5-13,16H,14-15H2,1-4H3

InChI Key

FGSHZCGAHKZSTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27124318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.65

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

7.275

Distribution Coefficient, logD

7.275

Water Solubility, LogSw

-5.51

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

26.90

F401-0477 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 F401-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F401-0477?
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What is the minimum amount of F401-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F401-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F401-0477
  • 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 F401-0477 available by request