S565-1137 Screening compound: 2-methyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine

S565-1137 Screening compound: 2-methyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine
S565-1137 Screening compound: 2-methyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1137
2-methyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine

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

S565-1137

Molecular Formula

C21H20N8O (C21 H20 N8 O)

Compound Name

2-methyl-5-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyrazine

IUPAC name

2-methyl-5-[1-methyl-3-(4-phenyl-4H-124-triazol-3-yl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]pyrazine

SMILES

Cc(nc1)cnc1C(N(CC1)Cc2c1n(C)nc2-c1nncn1-c1ccccc1)=O

InChI

InChI=1S/C21H20N8O/c1-14-10-23-17(11-22-14)21(30)28-9-8-18-16(12-28)19(26-27(18)2)20-25-24-13-29(20)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3

InChI Key

OTUKBIOPLNWMPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31991421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.619

Distribution Coefficient, logD

0.618

Water Solubility, LogSw

-1.32

Polar Surface Area

74.191

Acid Dissociation Constant (pKa)

21.13

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

S565-1137 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 S565-1137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1137?
Check Price and Availability of S565-1137, 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 S565-1137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1137
  • 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 S565-1137 available by request