S565-0737 Screening compound: 1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one

S565-0737 Screening compound: 1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one
S565-0737 Screening compound: 1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-0737
1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-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

S565-0737

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

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

IUPAC name

1-{1-methyl-3-[4-(propan-2-yl)-4H-124-triazol-3-yl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-phenoxyethan-1-one

SMILES

CC(C)n1c(-c2nn(C)c(CC3)c2CN3C(COc2ccccc2)=O)nnc1

InChI

InChI=1S/C20H24N6O2/c1-14(2)26-13-21-22-20(26)19-16-11-25(10-9-17(16)24(3)23-19)18(27)12-28-15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3

InChI Key

YEJBDHUNSKITLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.974

Distribution Coefficient, logD

0.923

Water Solubility, LogSw

-1.63

Polar Surface Area

63.686

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S565-0737 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 S565-0737 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0737?
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What is the minimum amount of S565-0737 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0737
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0737
  • 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 S565-0737 available by request