S020-2529 Screening compound: 4-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]sulfonyl}benzonitrile

S020-2529 Screening compound: 4-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]sulfonyl}benzonitrile
S020-2529 Screening compound: 4-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2529
4-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]sulfonyl}benzonitrile

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

S020-2529

Molecular Formula

C20H15FN4O3S (C20 H15 FN4 O3 S)

Compound Name

4-{[2-(4-fluorophenyl)-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]sulfonyl}benzonitrile

IUPAC name

4-{[2-(4-fluorophenyl)-4-oxo-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-7-yl]sulfonyl}benzonitrile

SMILES

N#Cc(cc1)ccc1S(N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O)(=O)=O

InChI

InChI=1S/C20H15FN4O3S/c21-15-5-3-14(4-6-15)19-23-18-12-25(10-9-17(18)20(26)24-19)29(27,28)16-7-1-13(11-22)2-8-16/h1-8H,9-10,12H2,(H,23,24,26)

InChI Key

PJTVHGKCADCAGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

-1.546

Water Solubility, LogSw

-2.90

Polar Surface Area

83.370

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

S020-2529 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Others
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S020-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2529?
Check Price and Availability of S020-2529, 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 S020-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2529
  • 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 S020-2529 available by request