S022-1656 Screening compound: N~7~-(4-fluorobenzyl)-2-(4-methoxyphenyl)-9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide

S022-1656 Screening compound: N~7~-(4-fluorobenzyl)-2-(4-methoxyphenyl)-9-oxo-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide
S022-1656 Screening compound: N~7~-(4-fluorobenzyl)-2-(4-methoxyphenyl)-9-oxo-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 S022-1656
N~7~-(4-fluorobenzyl)-2-(4-methoxyphenyl)-9-oxo-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

S022-1656

Molecular Formula

C24H22FN5O3 (C24 H22 FN5 O3)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-8-oxo-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-11-carboxamide

SMILES

COc(cc1)ccc1C(NN12)=CC2=NC(CCN(C2)C(NCc(cc3)ccc3F)=O)=C2C1=O

InChI

InChI=1S/C24H22FN5O3/c1-33-18-8-4-16(5-9-18)21-12-22-27-20-10-11-29(14-19(20)23(31)30(22)28-21)24(32)26-13-15-2-6-17(25)7-3-15/h2-9,12,28H,10-11,13-14H2,1H3,(H,26,32)

InChI Key

BULQVENXGJGBHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.203

Distribution Coefficient, logD

2.202

Water Solubility, LogSw

-2.66

Polar Surface Area

74.480

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S022-1656 in Drug Discovery

Included in Screening Libraries

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:
  • 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 S022-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1656?
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What is the minimum amount of S022-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1656
  • 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 S022-1656 available by request