3379-1786 Screening compound: 2-(allylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

3379-1786 Screening compound: 2-(allylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3379-1786 Screening compound: 2-(allylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-1786
2-(allylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

3379-1786

Molecular Formula

C20H20N2OS2 (C20 H20 N2 OS2)

Compound Name

2-(allylsulfanyl)-3-(4-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-(4-methylphenyl)-5-(prop-2-en-1-ylsulfanyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

Cc(cc1)ccc1N1C(SCC=C)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C20H20N2OS2/c1-3-12-24-20-21-18-17(15-6-4-5-7-16(15)25-18)19(23)22(20)14-10-8-13(2)9-11-14/h3,8-11H,1,4-7,12H2,2H3

InChI Key

VLRNIHYVMWWXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01902226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.285

Distribution Coefficient, logD

5.285

Water Solubility, LogSw

-5.18

Polar Surface Area

25.254

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3379-1786 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3379-1786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-1786?
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What is the minimum amount of 3379-1786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-1786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-1786
  • 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 3379-1786 available by request