S022-1110 Screening compound: N~7~-(2,4-dimethoxyphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide

S022-1110 Screening compound: N~7~-(2,4-dimethoxyphenyl)-9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidine-7(8H)-carboxamide
S022-1110 Screening compound: N~7~-(2,4-dimethoxyphenyl)-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 S022-1110
N~7~-(2,4-dimethoxyphenyl)-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

S022-1110

Molecular Formula

C24H23N5O4 (C24 H23 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(OC)c1NC(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O

InChI

InChI=1S/C24H23N5O4/c1-32-16-8-9-19(21(12-16)33-2)26-24(31)28-11-10-18-17(14-28)23(30)29-22(25-18)13-20(27-29)15-6-4-3-5-7-15/h3-9,12-13,27H,10-11,14H2,1-2H3,(H,26,31)

InChI Key

MERLSGCBYOBLDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-3.25

Polar Surface Area

80.091

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S022-1110 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 S022-1110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1110?
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What is the minimum amount of S022-1110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1110
  • 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 S022-1110 available by request