S585-0222 Screening compound: 1-(3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

S585-0222 Screening compound: 1-(3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
S585-0222 Screening compound: 1-(3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-0222
1-(3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-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

S585-0222

Molecular Formula

C25H35N5O2 (C25 H35 N5 O2)

Compound Name

1-(3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-(3-{7-cyclopentyl-5H6H7H8H-[124]triazolo[43-a]pyrazin-3-yl}piperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one

SMILES

COc1ccc(CCC(N(CCC2)CC2c2nnc(C3)n2CCN3C2CCCC2)=O)cc1

InChI

InChI=1S/C25H35N5O2/c1-32-22-11-8-19(9-12-22)10-13-24(31)29-14-4-5-20(17-29)25-27-26-23-18-28(15-16-30(23)25)21-6-2-3-7-21/h8-9,11-12,20-21H,2-7,10,13-18H2,1H3/t20-/m0/s1

InChI Key

PKPIPNJGEJYJBN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31991549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.40

Polar Surface Area

51.923

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

S585-0222 in Drug Discovery

Included in Screening Libraries

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)

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

References: we are preparing a list of scientific research reports with S585-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-0222?
Check Price and Availability of S585-0222, 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 S585-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-0222
  • 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 S585-0222 available by request