S565-1052 Screening compound: 3-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-benzyl-4H-1,2,4-triazole

S565-1052 Screening compound: 3-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-benzyl-4H-1,2,4-triazole
S565-1052 Screening compound: 3-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-benzyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1052
3-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-benzyl-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

S565-1052

Molecular Formula

C23H22N6O (C23 H22 N6 O)

Compound Name

3-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}-4-benzyl-4H-1,2,4-triazole

IUPAC name

3-{5-benzoyl-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}-4-benzyl-4H-124-triazole

SMILES

Cn(c(CC1)c2CN1C(c1ccccc1)=O)nc2-c1nncn1Cc1ccccc1

InChI

InChI=1S/C23H22N6O/c1-27-20-12-13-28(23(30)18-10-6-3-7-11-18)15-19(20)21(26-27)22-25-24-16-29(22)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3

InChI Key

NVCKXSYNSMINFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-1.85

Polar Surface Area

55.651

Acid Dissociation Constant (pKa)

18.36

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.74

S565-1052 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S565-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1052?
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What is the minimum amount of S565-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1052
  • 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 S565-1052 available by request