S586-0967 Screening compound: N,N-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide

S586-0967 Screening compound: N,N-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide
S586-0967 Screening compound: N,N-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S586-0967
N,N-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide

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

S586-0967

Molecular Formula

C17H28N6O3 (C17 H28 N6 O3)

Compound Name

N,N-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide

IUPAC name

NN-diethyl-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H5H6H7H-[123]triazolo[15-a]pyrazine-5-carboxamide

SMILES

CCN(CC)C(N1Cc2c(CCC(N3CCOCC3)=O)nnn2CC1)=O

InChI

InChI=1S/C17H28N6O3/c1-3-20(4-2)17(25)22-7-8-23-15(13-22)14(18-19-23)5-6-16(24)21-9-11-26-12-10-21/h3-13H2,1-2H3

InChI Key

AHZQYMPXIXJSCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31984010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.342

Distribution Coefficient, logD

-0.342

Water Solubility, LogSw

0.34

Polar Surface Area

68.750

Acid Dissociation Constant (pKa)

23.38

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.47

S586-0967 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S586-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0967?
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What is the minimum amount of S586-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0967
  • 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 S586-0967 available by request