S022-0106 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-0106 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-0106 Screening compound: 7-[(1-methyl-1H-indazol-3-yl)carbonyl]-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 S022-0106
7-[(1-methyl-1H-indazol-3-yl)carbonyl]-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

S022-0106

Molecular Formula

C18H16N6O2 (C18 H16 N6 O2)

Compound Name

7-[(1-methyl-1H-indazol-3-yl)carbonyl]-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)-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

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

InChI

InChI=1S/C18H16N6O2/c1-22-14-5-3-2-4-11(14)16(21-22)18(26)23-9-7-13-12(10-23)17(25)24-15(20-13)6-8-19-24/h2-6,8,19H,7,9-10H2,1H3

InChI Key

GMXSIOIYCDXMJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.374

Distribution Coefficient, logD

-0.374

Water Solubility, LogSw

-1.98

Polar Surface Area

69.552

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

S022-0106 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S022-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0106?
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What is the minimum amount of S022-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0106
  • 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 S022-0106 available by request