S585-0167 Screening compound: [3-(7-cyclopentyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidino](1-methyl-1H-pyrazol-5-yl)methanone

S585-0167 Screening compound: [3-(7-cyclopentyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidino](1-methyl-1H-pyrazol-5-yl)methanone
S585-0167 Screening compound: [3-(7-cyclopentyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidino](1-methyl-1H-pyrazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-0167
[3-(7-cyclopentyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidino](1-methyl-1H-pyrazol-5-yl)methanone

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

S585-0167

Molecular Formula

C20H29N7O (C20 H29 N7 O)

Compound Name

[3-(7-cyclopentyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidino](1-methyl-1H-pyrazol-5-yl)methanone

IUPAC name

3-{7-cyclopentyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine

SMILES

Cn1nccc1C(N(CCC1)CC1c1nnc(C2)n1CCN2C1CCCC1)=O

InChI

InChI=1S/C20H29N7O/c1-24-17(8-9-21-24)20(28)26-10-4-5-15(13-26)19-23-22-18-14-25(11-12-27(18)19)16-6-2-3-7-16/h8-9,15-16H,2-7,10-14H2,1H3/t15-/m0/s1

InChI Key

BLYDCDUCWNHMHQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32224958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.468

Distribution Coefficient, logD

0.313

Water Solubility, LogSw

-1.39

Polar Surface Area

58.556

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S585-0167 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Female
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
Targets:
  • Others

References: we are preparing a list of scientific research reports with S585-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-0167?
Check Price and Availability of S585-0167, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S585-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-0167
  • 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 S585-0167 available by request