S022-0954 Screening compound: 7-[2-(2-chloro-6-fluorophenyl)acetyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-0954 Screening compound: 7-[2-(2-chloro-6-fluorophenyl)acetyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-0954 Screening compound: 7-[2-(2-chloro-6-fluorophenyl)acetyl]-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 S022-0954
7-[2-(2-chloro-6-fluorophenyl)acetyl]-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

S022-0954

Molecular Formula

C23H18ClFN4O2 (C23 H18 ClFN4 O2)

Compound Name

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

IUPAC name

11-[2-(2-chloro-6-fluorophenyl)acetyl]-5-phenyl-26711-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(Cc(c(F)ccc1)c1Cl)N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1

InChI

InChI=1S/C23H18ClFN4O2/c24-17-7-4-8-18(25)15(17)11-22(30)28-10-9-19-16(13-28)23(31)29-21(26-19)12-20(27-29)14-5-2-1-3-6-14/h1-8,12,27H,9-11,13H2

InChI Key

HEGHENAWYWATDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.53

Polar Surface Area

56.266

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S022-0954 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 S022-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0954?
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What is the minimum amount of S022-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0954
  • 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 S022-0954 available by request