S565-0684 Screening compound: 3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-(propan-2-yl)-4H-1,2,4-triazole

S565-0684 Screening compound: 3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-(propan-2-yl)-4H-1,2,4-triazole
S565-0684 Screening compound: 3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-(propan-2-yl)-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0684
3-[1-methyl-5-(3-methylbenzoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-(propan-2-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

S565-0684

Molecular Formula

C20H24N6O (C20 H24 N6 O)

Compound Name

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

IUPAC name

3-[1-methyl-5-(3-methylbenzoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]-4-(propan-2-yl)-4H-124-triazole

SMILES

CC(C)n1c(-c2nn(C)c(CC3)c2CN3C(c2cc(C)ccc2)=O)nnc1

InChI

InChI=1S/C20H24N6O/c1-13(2)26-12-21-22-19(26)18-16-11-25(9-8-17(16)24(4)23-18)20(27)15-7-5-6-14(3)10-15/h5-7,10,12-13H,8-9,11H2,1-4H3

InChI Key

PJOCFOMFTHHLRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31988341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-1.93

Polar Surface Area

56.714

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S565-0684 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 S565-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0684?
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What is the minimum amount of S565-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0684
  • 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 S565-0684 available by request