S022-1033 Screening compound: 2-phenyl-7-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

S022-1033 Screening compound: 2-phenyl-7-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
S022-1033 Screening compound: 2-phenyl-7-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-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 S022-1033
2-phenyl-7-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-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

S022-1033

Molecular Formula

C21H15F3N4O2S (C21 H15 F3 N4 O2 S)

Compound Name

2-phenyl-7-{[5-(trifluoromethyl)-2-thienyl]carbonyl}-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one

IUPAC name

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

SMILES

O=C(c1ccc(C(F)(F)F)s1)N(CC1)CC(C2=O)=C1N=C1N2NC(c2ccccc2)=C1

InChI

InChI=1S/C21H15F3N4O2S/c22-21(23,24)17-7-6-16(31-17)20(30)27-9-8-14-13(11-27)19(29)28-18(25-14)10-15(26-28)12-4-2-1-3-5-12/h1-7,10,26H,8-9,11H2

InChI Key

MRHFLJPNTOAXMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.44

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

3.424

Distribution Coefficient, logD

3.424

Water Solubility, LogSw

-3.64

Polar Surface Area

57.812

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S022-1033 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

GPCR Targeted Library (31838 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S022-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S022-1033?
Check Price and Availability of S022-1033, 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 S022-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S022-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S022-1033
  • 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 S022-1033 available by request