S565-0939 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(3-phenyl-1H-pyrazole-5-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole

S565-0939 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(3-phenyl-1H-pyrazole-5-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]-4H-1,2,4-triazole
S565-0939 Screening compound: 4-(cyclopropylmethyl)-3-[1-methyl-5-(3-phenyl-1H-pyrazole-5-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 S565-0939
4-(cyclopropylmethyl)-3-[1-methyl-5-(3-phenyl-1H-pyrazole-5-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

S565-0939

Molecular Formula

C23H24N8O (C23 H24 N8 O)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(CC1)c2CN1C(c1cc(-c3ccccc3)n[nH]1)=O)nc2-c1nncn1CC1CC1

InChI

InChI=1S/C23H24N8O/c1-29-20-9-10-30(23(32)19-11-18(25-26-19)16-5-3-2-4-6-16)13-17(20)21(28-29)22-27-24-14-31(22)12-15-7-8-15/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,25,26)

InChI Key

SEPCYTXJUSNSNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31986800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.017

Distribution Coefficient, logD

2.014

Water Solubility, LogSw

-2.77

Polar Surface Area

78.664

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

S565-0939 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)

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 S565-0939 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-0939?
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What is the minimum amount of S565-0939 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-0939
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-0939
  • 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 S565-0939 available by request