S022-0963 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-0963 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-0963 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-2-phenyl-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 S022-0963
7-[(1-methyl-1H-indazol-3-yl)carbonyl]-2-phenyl-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

S022-0963

Molecular Formula

C24H20N6O2 (C24 H20 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(N(CC2)CC(C3=O)=C2N=C2N3NC(c3ccccc3)=C2)=O)c2c1cccc2

InChI

InChI=1S/C24H20N6O2/c1-28-20-10-6-5-9-16(20)22(27-28)24(32)29-12-11-18-17(14-29)23(31)30-21(25-18)13-19(26-30)15-7-3-2-4-8-15/h2-10,13,26H,11-12,14H2,1H3

InChI Key

PCTUKWOIUSSQDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-2.35

Polar Surface Area

71.330

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S022-0963 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

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 S022-0963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0963?
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What is the minimum amount of S022-0963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0963
  • 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 S022-0963 available by request