S565-0337 Screening compound: 4-methyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

S565-0337 Screening compound: 4-methyl-3-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
S565-0337 Screening compound: 4-methyl-3-[1-methyl-5-(thiophene-2-carbonyl)-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 S565-0337
4-methyl-3-[1-methyl-5-(thiophene-2-carbonyl)-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

S565-0337

Molecular Formula

C15H16N6OS (C15 H16 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(-c2nn(C)c(CC3)c2CN3C(c2cccs2)=O)nnc1

InChI

InChI=1S/C15H16N6OS/c1-19-9-16-17-14(19)13-10-8-21(6-5-11(10)20(2)18-13)15(22)12-4-3-7-23-12/h3-4,7,9H,5-6,8H2,1-2H3

InChI Key

KUYPZKRQWVUVDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31980190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.361

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-1.84

Polar Surface Area

57.497

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S565-0337 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 S565-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0337?
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What is the minimum amount of S565-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0337
  • 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 S565-0337 available by request