S565-1130 Screening compound: 3-[1-methyl-5-(thiophene-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-phenyl-4H-1,2,4-triazole

S565-1130 Screening compound: 3-[1-methyl-5-(thiophene-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-phenyl-4H-1,2,4-triazole
S565-1130 Screening compound: 3-[1-methyl-5-(thiophene-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-phenyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1130
3-[1-methyl-5-(thiophene-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4-phenyl-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

S565-1130

Molecular Formula

C20H18N6OS (C20 H18 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(CC1)c2CN1C(c1cscc1)=O)nc2-c1nncn1-c1ccccc1

InChI

InChI=1S/C20H18N6OS/c1-24-17-7-9-25(20(27)14-8-10-28-12-14)11-16(17)18(23-24)19-22-21-13-26(19)15-5-3-2-4-6-15/h2-6,8,10,12-13H,7,9,11H2,1H3

InChI Key

GEUTUANQMUXRPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

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

1.552

Distribution Coefficient, logD

1.551

Water Solubility, LogSw

-2.20

Polar Surface Area

57.128

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S565-1130 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 S565-1130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1130?
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What is the minimum amount of S565-1130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1130
  • 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 S565-1130 available by request