S020-2621 Screening compound: 2-(4-METHOXYPHENYL)-7-[2-(3-THIENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE

S020-2621 Screening compound: 2-(4-METHOXYPHENYL)-7-[2-(3-THIENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE
S020-2621 Screening compound: 2-(4-METHOXYPHENYL)-7-[2-(3-THIENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2621
2-(4-METHOXYPHENYL)-7-[2-(3-THIENYL)ACETYL]-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

S020-2621

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

2-(4-METHOXYPHENYL)-7-[2-(3-THIENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4(1H)-ONE

IUPAC name

n/a

SMILES

COc(cc1)ccc1C(NC(C1)=C2CCN1C(Cc1cscc1)=O)=NC2=O

InChI

InChI=1S/C20H19N3O3S/c1-26-15-4-2-14(3-5-15)19-21-17-11-23(8-6-16(17)20(25)22-19)18(24)10-13-7-9-27-12-13/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,21,22,25)

InChI Key

ROAJFSIBIXSIRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

0.469

Water Solubility, LogSw

-2.81

Polar Surface Area

59.286

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S020-2621 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)

Beyond the Flatland Library sp3 enriched (92988 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

References: we are preparing a list of scientific research reports with S020-2621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2621?
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What is the minimum amount of S020-2621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2621
  • 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 S020-2621 available by request