D718-0821 Screening compound: 2-(methylsulfanyl)-7-[2-(2-thienyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-0821 Screening compound: 2-(methylsulfanyl)-7-[2-(2-thienyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-0821 Screening compound: 2-(methylsulfanyl)-7-[2-(2-thienyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0821
2-(methylsulfanyl)-7-[2-(2-thienyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-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

D718-0821

Molecular Formula

C15H13N5OS2 (C15 H13 N5 OS2)

Compound Name

2-(methylsulfanyl)-7-[2-(2-thienyl)ethyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

IUPAC name

4-(methylsulfanyl)-11-[2-(thiophen-2-yl)ethyl]-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CSc(nc1nc2)nn1c(C=CN1CCc3cccs3)c2C1=O

InChI

InChI=1S/C15H13N5OS2/c1-22-15-17-14-16-9-11-12(20(14)18-15)5-7-19(13(11)21)6-4-10-3-2-8-23-10/h2-3,5,7-9H,4,6H2,1H3

InChI Key

XMDXKOPQSIAZPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09766538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-2.48

Polar Surface Area

50.528

Acid Dissociation Constant (pKa)

26.23

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D718-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0821?
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What is the minimum amount of D718-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0821
  • 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 D718-0821 available by request