S565-1547 Screening compound: 4-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

S565-1547 Screening compound: 4-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
S565-1547 Screening compound: 4-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1547
4-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-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

S565-1547

Molecular Formula

C29H31N7O2 (C29 H31 N7 O2)

Compound Name

4-[3-(4-benzyl-4H-1,2,4-triazol-3-yl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

IUPAC name

4-[3-(4-benzyl-4H-124-triazol-3-yl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

SMILES

Cc1ccc(CN(CC(C2)C(N(CC3)Cc4c3n(C)nc4-c3nncn3Cc3ccccc3)=O)C2=O)cc1

InChI

InChI=1S/C29H31N7O2/c1-20-8-10-22(11-9-20)15-35-17-23(14-26(35)37)29(38)34-13-12-25-24(18-34)27(32-33(25)2)28-31-30-19-36(28)16-21-6-4-3-5-7-21/h3-11,19,23H,12-18H2,1-2H3/t23-/m1/s1

InChI Key

UPRRSLLTQOSLRB-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD31980509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.538

Water Solubility, LogSw

-1.75

Polar Surface Area

72.847

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.48

S565-1547 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S565-1547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1547?
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What is the minimum amount of S565-1547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1547
  • 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 S565-1547 available by request