D718-1321 Screening compound: 7-[2-(5-CHLORO-1H-INDOL-3-YL)ETHYL]-2-(4-PYRIDYL)PYRIDO[3,4-E][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6(7H)-ONE

D718-1321 Screening compound: 7-[2-(5-CHLORO-1H-INDOL-3-YL)ETHYL]-2-(4-PYRIDYL)PYRIDO[3,4-E][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6(7H)-ONE
D718-1321 Screening compound: 7-[2-(5-CHLORO-1H-INDOL-3-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 D718-1321
7-[2-(5-CHLORO-1H-INDOL-3-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

D718-1321

Molecular Formula

C23H16ClN7O (C23 H16 ClN7 O)

Compound Name

7-[2-(5-CHLORO-1H-INDOL-3-YL)ETHYL]-2-(4-PYRIDYL)PYRIDO[3,4-E][1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6(7H)-ONE

IUPAC name

n/a

SMILES

O=C1N(CCc2c[nH]c(cc3)c2cc3Cl)C=Cc2c1cnc1nc(-c3ccncc3)nn12

InChI

InChI=1S/C23H16ClN7O/c24-16-1-2-19-17(11-16)15(12-26-19)5-9-30-10-6-20-18(22(30)32)13-27-23-28-21(29-31(20)23)14-3-7-25-8-4-14/h1-4,6-8,10-13,26H,5,9H2

InChI Key

KUBJPAWDGPKNHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09785926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.172

Distribution Coefficient, logD

3.172

Water Solubility, LogSw

-3.67

Polar Surface Area

69.815

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

D718-1321 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D718-1321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1321?
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What is the minimum amount of D718-1321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1321
  • 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 D718-1321 available by request