S565-1319 Screening compound: 3-(5-{1H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-ethyl-4H-1,2,4-triazole

S565-1319 Screening compound: 3-(5-{1H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-ethyl-4H-1,2,4-triazole
S565-1319 Screening compound: 3-(5-{1H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-ethyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1319
3-(5-{1H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-ethyl-4H-1,2,4-triazole

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

S565-1319

Molecular Formula

C21H28N8O (C21 H28 N8 O)

Compound Name

3-(5-{1H,4H,5H,6H,7H,8H,9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-ethyl-4H-1,2,4-triazole

IUPAC name

3-(5-{1H4H5H6H7H8H9H-cycloocta[c]pyrazole-3-carbonyl}-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl)-4-ethyl-4H-124-triazole

SMILES

CCn1c(-c2nn(C)c(CC3)c2CN3C(c2n[nH]c3c2CCCCCC3)=O)nnc1

InChI

InChI=1S/C21H28N8O/c1-3-28-13-22-25-20(28)18-15-12-29(11-10-17(15)27(2)26-18)21(30)19-14-8-6-4-5-7-9-16(14)23-24-19/h13H,3-12H2,1-2H3,(H,23,24)

InChI Key

GUYXNCVZPLJFKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-1.63

Polar Surface Area

80.932

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

S565-1319 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S565-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1319?
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What is the minimum amount of S565-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1319
  • 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 S565-1319 available by request