S020-2735 Screening compound: 7-[2-(3,4-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-2735 Screening compound: 7-[2-(3,4-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-2735 Screening compound: 7-[2-(3,4-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2735
7-[2-(3,4-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-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

S020-2735

Molecular Formula

C22H19F2N3O4 (C22 H19 F2 N3 O4)

Compound Name

7-[2-(3,4-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

IUPAC name

7-[2-(34-difluorophenoxy)acetyl]-2-(4-methoxyphenyl)-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1C(NC(C1)=C2CCN1C(COc(cc1)cc(F)c1F)=O)=NC2=O

InChI

InChI=1S/C22H19F2N3O4/c1-30-14-4-2-13(3-5-14)21-25-19-11-27(9-8-16(19)22(29)26-21)20(28)12-31-15-6-7-17(23)18(24)10-15/h2-7,10H,8-9,11-12H2,1H3,(H,25,26,29)

InChI Key

PRKILOXGKBWAFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-3.01

Polar Surface Area

65.767

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

S020-2735 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S020-2735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2735?
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What is the minimum amount of S020-2735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2735
  • 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 S020-2735 available by request