S565-0989 Screening compound: 4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

S565-0989 Screening compound: 4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
S565-0989 Screening compound: 4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0989
4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-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

S565-0989

Molecular Formula

C24H24N6O (C24 H24 N6 O)

Compound Name

4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

IUPAC name

4-benzyl-3-[1-methyl-5-(3-methylbenzoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4H-124-triazole

SMILES

Cc1cccc(C(N(CC2)Cc3c2n(C)nc3-c2nncn2Cc2ccccc2)=O)c1

InChI

InChI=1S/C24H24N6O/c1-17-7-6-10-19(13-17)24(31)29-12-11-21-20(15-29)22(27-28(21)2)23-26-25-16-30(23)14-18-8-4-3-5-9-18/h3-10,13,16H,11-12,14-15H2,1-2H3

InChI Key

CYQRZPSBOGJLHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

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

2.050

Distribution Coefficient, logD

2.049

Water Solubility, LogSw

-2.47

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

25.00

S565-0989 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 S565-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0989?
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What is the minimum amount of S565-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0989
  • 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 S565-0989 available by request