S020-2452 Screening compound: 2-(4-fluorophenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

S020-2452 Screening compound: 2-(4-fluorophenyl)-4-oxo-N-[4-(trifluoromethyl)phenyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide
S020-2452 Screening compound: 2-(4-fluorophenyl)-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 S020-2452
2-(4-fluorophenyl)-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

S020-2452

Molecular Formula

C21H16F4N4O2 (C21 H16 F4 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1ccc(C(F)(F)F)cc1)N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O

InChI

InChI=1S/C21H16F4N4O2/c22-14-5-1-12(2-6-14)18-27-17-11-29(10-9-16(17)19(30)28-18)20(31)26-15-7-3-13(4-8-15)21(23,24)25/h1-8H,9-11H2,(H,26,31)(H,27,28,30)

InChI Key

AXHFDKKXFVDPGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.502

Distribution Coefficient, logD

0.748

Water Solubility, LogSw

-3.62

Polar Surface Area

60.072

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

S020-2452 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)

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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S020-2452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2452?
Check Price and Availability of S020-2452, 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 S020-2452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2452
  • 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 S020-2452 available by request