3683-0656 Screening compound: 1-[(2-methylallyl)sulfanyl]-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

3683-0656 Screening compound: 1-[(2-methylallyl)sulfanyl]-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
3683-0656 Screening compound: 1-[(2-methylallyl)sulfanyl]-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3683-0656
1-[(2-methylallyl)sulfanyl]-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-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

3683-0656

Molecular Formula

C22H22N4OS2 (C22 H22 N4 OS2)

Compound Name

1-[(2-methylallyl)sulfanyl]-4-(2-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

7-(2-methylphenyl)-3-[(2-methylprop-2-en-1-yl)sulfanyl]-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CC(CSc(n1-c2c3c(CCCC4)c4s2)nnc1N(c1c(C)cccc1)C3=O)=C

InChI

InChI=1S/C22H22N4OS2/c1-13(2)12-28-22-24-23-21-25(16-10-6-4-8-14(16)3)19(27)18-15-9-5-7-11-17(15)29-20(18)26(21)22/h4,6,8,10H,1,5,7,9,11-12H2,2-3H3

InChI Key

VSFQFTIBOPLQBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02990027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.58

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

5.484

Distribution Coefficient, logD

5.484

Water Solubility, LogSw

-5.39

Polar Surface Area

39.043

Acid Dissociation Constant (pKa)

24.24

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

3683-0656 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 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 3683-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3683-0656?
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What is the minimum amount of 3683-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3683-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3683-0656
  • 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 3683-0656 available by request