S565-0398 Screening compound: 1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one

S565-0398 Screening compound: 1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one
S565-0398 Screening compound: 1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0398
1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one

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

S565-0398

Molecular Formula

C19H22N6O (C19 H22 N6 O)

Compound Name

1-[1-methyl-3-(4-methyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenylpropan-1-one

IUPAC name

1-[1-methyl-3-(4-methyl-4H-124-triazol-3-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl]-3-phenylpropan-1-one

SMILES

Cn1c(-c2nn(C)c(CC3)c2CN3C(CCc2ccccc2)=O)nnc1

InChI

InChI=1S/C19H22N6O/c1-23-13-20-21-19(23)18-15-12-25(11-10-16(15)24(2)22-18)17(26)9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3

InChI Key

IOVZOUIHCWIBHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

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

0.901

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-1.39

Polar Surface Area

55.951

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

S565-0398 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 S565-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0398?
Check Price and Availability of S565-0398, 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 S565-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0398
  • 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 S565-0398 available by request