S022-1138 Screening compound: N~7~-(3-acetylphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide

S022-1138 Screening compound: N~7~-(3-acetylphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide
S022-1138 Screening compound: N~7~-(3-acetylphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1138
N~7~-(3-acetylphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide

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

S022-1138

Molecular Formula

C24H21N5O3 (C24 H21 N5 O3)

Compound Name

N~7~-(3-acetylphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide

IUPAC name

N-(3-acetylphenyl)-8-oxo-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-11-carboxamide

SMILES

CC(c1cccc(NC(N(CC2)CC(C3=O)=C2N=C2N3NC(c3ccccc3)=C2)=O)c1)=O

InChI

InChI=1S/C24H21N5O3/c1-15(30)17-8-5-9-18(12-17)25-24(32)28-11-10-20-19(14-28)23(31)29-22(26-20)13-21(27-29)16-6-3-2-4-7-16/h2-9,12-13,27H,10-11,14H2,1H3,(H,25,32)

InChI Key

DUKLJSMMWSUJLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-2.98

Polar Surface Area

79.441

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S022-1138 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S022-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1138?
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What is the minimum amount of S022-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1138
  • 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 S022-1138 available by request