4159-0193 Screening compound: 8-(benzylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one

4159-0193 Screening compound: 8-(benzylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
4159-0193 Screening compound: 8-(benzylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4159-0193
8-(benzylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-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

4159-0193

Molecular Formula

C22H18N4OS2 (C22 H18 N4 OS2)

Compound Name

8-(benzylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one

IUPAC name

12-(benzylsulfanyl)-45-dimethyl-8-phenyl-3-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)4911-tetraen-7-one

SMILES

Cc1c(C)sc(-n2c(SCc3ccccc3)nnc2N2c3ccccc3)c1C2=O

InChI

InChI=1S/C22H18N4OS2/c1-14-15(2)29-20-18(14)19(27)25(17-11-7-4-8-12-17)21-23-24-22(26(20)21)28-13-16-9-5-3-6-10-16/h3-12H,13H2,1-2H3

InChI Key

MIQNEKHPIISQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.49

Polar Surface Area

39.152

Acid Dissociation Constant (pKa)

24.46

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4159-0193 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4159-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4159-0193?
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What is the minimum amount of 4159-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4159-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4159-0193
  • 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 4159-0193 available by request