S565-1180 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one

S565-1180 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
S565-1180 Screening compound: 2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1180
2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]ethan-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

S565-1180

Molecular Formula

C23H29N7O (C23 H29 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(CC1)c2CN1C(CN1CCCCCC1)=O)nc2-c1nncn1-c1ccccc1

InChI

InChI=1S/C23H29N7O/c1-27-20-11-14-29(21(31)16-28-12-7-2-3-8-13-28)15-19(20)22(26-27)23-25-24-17-30(23)18-9-5-4-6-10-18/h4-6,9-10,17H,2-3,7-8,11-16H2,1H3

InChI Key

QYSGPDVYOFANMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29014800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.412

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-1.87

Polar Surface Area

59.918

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

S565-1180 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)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S565-1180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1180?
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What is the minimum amount of S565-1180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1180
  • 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 S565-1180 available by request