4386-4723 Screening compound: 1-(ethylsulfanyl)-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

4386-4723 Screening compound: 1-(ethylsulfanyl)-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4386-4723 Screening compound: 1-(ethylsulfanyl)-6-methyl-4-phenyl-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 4386-4723
1-(ethylsulfanyl)-6-methyl-4-phenyl-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

4386-4723

Molecular Formula

C20H20N4OS2 (C20 H20 N4 OS2)

Compound Name

1-(ethylsulfanyl)-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

3-(ethylsulfanyl)-11-methyl-7-phenyl-16-thia-2457-tetraazatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)3510(15)-tetraen-8-one

SMILES

CCSc(n1-c2c3c(C(C)CCC4)c4s2)nnc1N(c1ccccc1)C3=O

InChI

InChI=1S/C20H20N4OS2/c1-3-26-20-22-21-19-23(13-9-5-4-6-10-13)17(25)16-15-12(2)8-7-11-14(15)27-18(16)24(19)20/h4-6,9-10,12H,3,7-8,11H2,1-2H3/t12-/m0/s1

InChI Key

BKCUNJWZPSZRJN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02631199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.38

Polar Surface Area

39.344

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4386-4723 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4386-4723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4723?
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What is the minimum amount of 4386-4723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4723
  • 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 4386-4723 available by request