S585-1955 Screening compound: 1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one

S585-1955 Screening compound: 1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one
S585-1955 Screening compound: 1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-1955
1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-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

S585-1955

Molecular Formula

C19H27N7O2 (C19 H27 N7 O2)

Compound Name

1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{3-[7-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl]piperidin-1-yl}ethan-1-one

SMILES

CCn1ncc(C(N2Cc3nnc(C(CCC4)CN4C(C)=O)n3CC2)=O)c1C

InChI

InChI=1S/C19H27N7O2/c1-4-26-13(2)16(10-20-26)19(28)24-8-9-25-17(12-24)21-22-18(25)15-6-5-7-23(11-15)14(3)27/h10,15H,4-9,11-12H2,1-3H3/t15-/m0/s1

InChI Key

BIBCMUNHKNZFPQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31954376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.366

Distribution Coefficient, logD

-0.366

Water Solubility, LogSw

-0.84

Polar Surface Area

72.567

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S585-1955 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S585-1955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-1955?
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What is the minimum amount of S585-1955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-1955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-1955
  • 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 S585-1955 available by request