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
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 Key
MDL Number (MFCD)
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
- Cancer
- Female
- Congenital
- Skin
- Infections
- Immune system
- animal
- Antiviral
- Infections
- Immune system
- Kinases
- 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
Check Price and Availability of 4386-4723, 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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)