S586-0963 Screening compound: N-(2-fluorophenyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide

S586-0963 Screening compound: N-(2-fluorophenyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H,5H,6H,7H-[1,2,3]triazolo[1,5-a]pyrazine-5-carboxamide
S586-0963 Screening compound: N-(2-fluorophenyl)-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 S586-0963
N-(2-fluorophenyl)-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

S586-0963

Molecular Formula

C19H23FN6O3 (C19 H23 FN6 O3)

Compound Name

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

IUPAC name

N-(2-fluorophenyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-4H5H6H7H-[123]triazolo[15-a]pyrazine-5-carboxamide

SMILES

O=C(CCc1c(CN(CC2)C(Nc(cccc3)c3F)=O)n2nn1)N1CCOCC1

InChI

InChI=1S/C19H23FN6O3/c20-14-3-1-2-4-15(14)21-19(28)25-7-8-26-17(13-25)16(22-23-26)5-6-18(27)24-9-11-29-12-10-24/h1-4H,5-13H2,(H,21,28)

InChI Key

DYSGCJKBWGMZJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31974530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.314

Distribution Coefficient, logD

0.314

Water Solubility, LogSw

-2.01

Polar Surface Area

75.783

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.37

S586-0963 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S586-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S586-0963?
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What is the minimum amount of S586-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S586-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S586-0963
  • 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 S586-0963 available by request