S020-2414 Screening compound: 2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide

S020-2414 Screening compound: 2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide
S020-2414 Screening compound: 2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2414
2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-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

S020-2414

Molecular Formula

C19H17FN4O3 (C19 H17 FN4 O3)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-1H4H5H6H7H8H-pyrido[34-d]pyrimidine-7-carboxamide

SMILES

O=C(NCc1ccco1)N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O

InChI

InChI=1S/C19H17FN4O3/c20-13-5-3-12(4-6-13)17-22-16-11-24(8-7-15(16)18(25)23-17)19(26)21-10-14-2-1-9-27-14/h1-6,9H,7-8,10-11H2,(H,21,26)(H,22,23,25)

InChI Key

SFMGRCPPLYHCLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

-0.838

Water Solubility, LogSw

-2.49

Polar Surface Area

69.143

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

S020-2414 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein Arginine Methyltransferases Library (27925 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

Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S020-2414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2414?
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What is the minimum amount of S020-2414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2414
  • 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 S020-2414 available by request