S585-1808 Screening compound: 3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

S585-1808 Screening compound: 3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
S585-1808 Screening compound: 3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S585-1808
3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-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

S585-1808

Molecular Formula

C19H30N6O2 (C19 H30 N6 O2)

Compound Name

3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

IUPAC name

3-(1-acetylpiperidin-3-yl)-N-cyclohexyl-5H6H7H8H-[124]triazolo[43-a]pyrazine-7-carboxamide

SMILES

CC(N(CCC1)CC1c1nnc(C2)n1CCN2C(NC1CCCCC1)=O)=O

InChI

InChI=1S/C19H30N6O2/c1-14(26)23-9-5-6-15(12-23)18-22-21-17-13-24(10-11-25(17)18)19(27)20-16-7-3-2-4-8-16/h15-16H,2-13H2,1H3,(H,20,27)/t15-/m0/s1

InChI Key

LLJMAROKPZSNFX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32224968

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

374.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.157

Distribution Coefficient, logD

1.157

Water Solubility, LogSw

-1.74

Polar Surface Area

68.511

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

S585-1808 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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)

Soluble Diversity Library (15920 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

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S585-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S585-1808?
Check Price and Availability of S585-1808, 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 S585-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S585-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S585-1808
  • 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 S585-1808 available by request