S020-2218 Screening compound: 2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-2218 Screening compound: 2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-2218 Screening compound: 2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2218
2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-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

S020-2218

Molecular Formula

C24H21FN4O2 (C24 H21 FN4 O2)

Compound Name

2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

IUPAC name

2-(4-fluorophenyl)-7-[3-(1H-indol-3-yl)propanoyl]-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

O=C(CCc1c[nH]c2c1cccc2)N(CC1)CC(NC(c(cc2)ccc2F)=N2)=C1C2=O

InChI

InChI=1S/C24H21FN4O2/c25-17-8-5-15(6-9-17)23-27-21-14-29(12-11-19(21)24(31)28-23)22(30)10-7-16-13-26-20-4-2-1-3-18(16)20/h1-6,8-9,13,26H,7,10-12,14H2,(H,27,28,31)

InChI Key

OFXUJPMPJLVFSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

-0.111

Water Solubility, LogSw

-3.20

Polar Surface Area

60.595

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

S020-2218 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 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)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S020-2218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2218?
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What is the minimum amount of S020-2218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2218
  • 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 S020-2218 available by request