S022-1023 Screening compound: 2-phenyl-7-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1023 Screening compound: 2-phenyl-7-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1023 Screening compound: 2-phenyl-7-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S022-1023
2-phenyl-7-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-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

S022-1023

Molecular Formula

C23H22N6O2 (C23 H22 N6 O2)

Compound Name

2-phenyl-7-(4,5,6,7-tetrahydro-1H-indazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

IUPAC name

5-phenyl-11-(4567-tetrahydro-1H-indazole-3-carbonyl)-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(c1n[nH]c2c1CCCC2)N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1

InChI

InChI=1S/C23H22N6O2/c30-22-16-13-28(23(31)21-15-8-4-5-9-18(15)25-26-21)11-10-17(16)24-20-12-19(27-29(20)22)14-6-2-1-3-7-14/h1-3,6-7,12,27H,4-5,8-11,13H2,(H,25,26)

InChI Key

MGEXWMQZOIWTHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.824

Distribution Coefficient, logD

1.824

Water Solubility, LogSw

-2.24

Polar Surface Area

81.747

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

S022-1023 in Drug Discovery

Included in Screening Libraries

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

References: we are preparing a list of scientific research reports with S022-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1023?
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What is the minimum amount of S022-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1023
  • 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 S022-1023 available by request