S022-0989 Screening compound: 7-(2-phenoxypropanoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-0989 Screening compound: 7-(2-phenoxypropanoyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-0989 Screening compound: 7-(2-phenoxypropanoyl)-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 S022-0989
7-(2-phenoxypropanoyl)-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

S022-0989

Molecular Formula

C24H22N4O3 (C24 H22 N4 O3)

Compound Name

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

IUPAC name

11-(2-phenoxypropanoyl)-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

CC(C(N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1)=O)Oc1ccccc1

InChI

InChI=1S/C24H22N4O3/c1-16(31-18-10-6-3-7-11-18)23(29)27-13-12-20-19(15-27)24(30)28-22(25-20)14-21(26-28)17-8-4-2-5-9-17/h2-11,14,16,26H,12-13,15H2,1H3/t16-/m0/s1

InChI Key

DEHFJLXZFQRMGV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29029242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.487

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-2.67

Polar Surface Area

63.583

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

S022-0989 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 S022-0989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0989?
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What is the minimum amount of S022-0989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0989
  • 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 S022-0989 available by request