S020-2839 Screening compound: 2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

S020-2839 Screening compound: 2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide
S020-2839 Screening compound: 2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2839
2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

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

S020-2839

Molecular Formula

C22H19F3N4O3 (C22 H19 F3 N4 O3)

Compound Name

2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

IUPAC name

2-(4-methoxyphenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carboxamide

SMILES

COc(cc1)ccc1C(NC(C1)=C2CCN1C(Nc1ccc(C(F)(F)F)cc1)=O)=NC2=O

InChI

InChI=1S/C22H19F3N4O3/c1-32-16-8-2-13(3-9-16)19-27-18-12-29(11-10-17(18)20(30)28-19)21(31)26-15-6-4-14(5-7-15)22(23,24)25/h2-9H,10-12H2,1H3,(H,26,31)(H,27,28,30)

InChI Key

XEDKKJDBPRBOGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-3.63

Polar Surface Area

67.616

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

S020-2839 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 Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with S020-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2839?
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What is the minimum amount of S020-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2839
  • 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 S020-2839 available by request