D718-0846 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-0846 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-0846 Screening compound: 7-[2-(1H-indol-3-yl)ethyl]-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0846
7-[2-(1H-indol-3-yl)ethyl]-2-(methylsulfanyl)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

D718-0846

Molecular Formula

C19H16N6OS (C19 H16 N6 OS)

Compound Name

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

IUPAC name

11-[2-(1H-indol-3-yl)ethyl]-4-(methylsulfanyl)-235711-pentaazatricyclo[7.4.0.0^{26}]trideca-1(9)35712-pentaen-10-one

SMILES

CSc(nc1nc2)nn1c(C=CN1CCc3c[nH]c4c3cccc4)c2C1=O

InChI

InChI=1S/C19H16N6OS/c1-27-19-22-18-21-11-14-16(25(18)23-19)7-9-24(17(14)26)8-6-12-10-20-15-5-3-2-4-13(12)15/h2-5,7,9-11,20H,6,8H2,1H3

InChI Key

BWQVLBMWOKXBLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09766573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.658

Distribution Coefficient, logD

2.658

Water Solubility, LogSw

-2.89

Polar Surface Area

59.380

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

D718-0846 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D718-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0846?
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What is the minimum amount of D718-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0846
  • 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 D718-0846 available by request