S022-0111 Screening compound: 7-(2-chloro-5-fluorobenzoyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-0111 Screening compound: 7-(2-chloro-5-fluorobenzoyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-0111 Screening compound: 7-(2-chloro-5-fluorobenzoyl)-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 S022-0111
7-(2-chloro-5-fluorobenzoyl)-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

S022-0111

Molecular Formula

C16H12ClFN4O2 (C16 H12 ClFN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc(cc1)F)c1Cl)N(CC1)CC(C2=O)=C1N=C1N2NC=C1

InChI

InChI=1S/C16H12ClFN4O2/c17-12-2-1-9(18)7-10(12)15(23)21-6-4-13-11(8-21)16(24)22-14(20-13)3-5-19-22/h1-3,5,7,19H,4,6,8H2

InChI Key

FYEJUQWTRTXMIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.786

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-3.03

Polar Surface Area

55.016

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

S022-0111 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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 S022-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-0111?
Check Price and Availability of S022-0111, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S022-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-0111
  • 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 S022-0111 available by request