D718-1319 Screening compound: 7-[2-(1H-imidazol-4-yl)ethyl]-2-(4-pyridyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one

D718-1319 Screening compound: 7-[2-(1H-imidazol-4-yl)ethyl]-2-(4-pyridyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
D718-1319 Screening compound: 7-[2-(1H-imidazol-4-yl)ethyl]-2-(4-pyridyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1319
7-[2-(1H-imidazol-4-yl)ethyl]-2-(4-pyridyl)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

D718-1319

Molecular Formula

C18H14N8O (C18 H14 N8 O)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(CCc2c[nH]cn2)C=Cc2c1cnc1nc(-c3ccncc3)nn12

InChI

InChI=1S/C18H14N8O/c27-17-14-10-21-18-23-16(12-1-5-19-6-2-12)24-26(18)15(14)4-8-25(17)7-3-13-9-20-11-22-13/h1-2,4-6,8-11H,3,7H2,(H,20,22)

InChI Key

KOEJCUDKFSIEIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09785923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.605

Distribution Coefficient, logD

0.603

Water Solubility, LogSw

-0.95

Polar Surface Area

81.737

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D718-1319 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D718-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1319?
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What is the minimum amount of D718-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1319
  • 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 D718-1319 available by request