S585-0242 Screening compound: 3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-methylbenzoyl)piperidine

S585-0242 Screening compound: 3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-methylbenzoyl)piperidine
S585-0242 Screening compound: 3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-methylbenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-0242
3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-methylbenzoyl)piperidine

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

S585-0242

Molecular Formula

C23H31N5O (C23 H31 N5 O)

Compound Name

3-{7-cyclopentyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-1-(3-methylbenzoyl)piperidine

IUPAC name

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

SMILES

Cc1cccc(C(N(CCC2)CC2c2nnc(C3)n2CCN3C2CCCC2)=O)c1

InChI

InChI=1S/C23H31N5O/c1-17-6-4-7-18(14-17)23(29)27-11-5-8-19(15-27)22-25-24-21-16-26(12-13-28(21)22)20-9-2-3-10-20/h4,6-7,14,19-20H,2-3,5,8-13,15-16H2,1H3/t19-/m0/s1

InChI Key

DOUADXQQPWBDQD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31976804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.205

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.51

Polar Surface Area

44.906

Acid Dissociation Constant (pKa)

21.37

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.87

S585-0242 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 S585-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-0242?
Check Price and Availability of S585-0242, 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 S585-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-0242
  • 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 S585-0242 available by request