4819-0716 Screening compound: 8-(isopentylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one

4819-0716 Screening compound: 8-(isopentylsulfanyl)-2,3-dimethyl-5-phenylthieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-4(5H)-one
4819-0716 Screening compound: 8-(isopentylsulfanyl)-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 4819-0716
8-(isopentylsulfanyl)-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

4819-0716

Molecular Formula

C20H22N4OS2 (C20 H22 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCSc(n1-c2c3c(C)c(C)s2)nnc1N(c1ccccc1)C3=O

InChI

InChI=1S/C20H22N4OS2/c1-12(2)10-11-26-20-22-21-19-23(15-8-6-5-7-9-15)17(25)16-13(3)14(4)27-18(16)24(19)20/h5-9,12H,10-11H2,1-4H3

InChI Key

UXORJWBDPSRUDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.63

Polar Surface Area

39.424

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4819-0716 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4819-0716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4819-0716?
Check Price and Availability of 4819-0716, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4819-0716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4819-0716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4819-0716
  • 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 4819-0716 available by request