S020-2680 Screening compound: 2-(4-methoxyphenyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-2680 Screening compound: 2-(4-methoxyphenyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-2680 Screening compound: 2-(4-methoxyphenyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2680
2-(4-methoxyphenyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-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

S020-2680

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-7-(1-methyl-1H-pyrrole-2-carbonyl)-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

Cn1c(C(N(CC2)CC(NC(c(cc3)ccc3OC)=N3)=C2C3=O)=O)ccc1

InChI

InChI=1S/C20H20N4O3/c1-23-10-3-4-17(23)20(26)24-11-9-15-16(12-24)21-18(22-19(15)25)13-5-7-14(27-2)8-6-13/h3-8,10H,9,11-12H2,1-2H3,(H,21,22,25)

InChI Key

RKWLVSLZYVDEJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029423

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.258

Distribution Coefficient, logD

0.608

Water Solubility, LogSw

-2.74

Polar Surface Area

61.212

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

S020-2680 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)

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 S020-2680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2680?
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What is the minimum amount of S020-2680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2680
  • 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 S020-2680 available by request