S020-2727 Screening compound: 7-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE

S020-2727 Screening compound: 7-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE
S020-2727 Screening compound: 7-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2727
7-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-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

S020-2727

Molecular Formula

C20H21N5O3 (C20 H21 N5 O3)

Compound Name

7-[(1-ETHYL-1H-PYRAZOL-3-YL)CARBONYL]-2-(4-METHOXYPHENYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE

IUPAC name

7-(1-ethyl-1H-pyrazole-3-carbonyl)-2-(4-methoxyphenyl)-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

CCn(cc1)nc1C(N(CC1)CC(NC(c(cc2)ccc2OC)=N2)=C1C2=O)=O

InChI

InChI=1S/C20H21N5O3/c1-3-25-11-9-16(23-25)20(27)24-10-8-15-17(12-24)21-18(22-19(15)26)13-4-6-14(28-2)7-5-13/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,21,22,26)

InChI Key

ZBPYVRIQQUWHRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.135

Distribution Coefficient, logD

-0.515

Water Solubility, LogSw

-2.12

Polar Surface Area

73.180

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S020-2727 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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)

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 S020-2727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2727?
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What is the minimum amount of S020-2727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2727
  • 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 S020-2727 available by request