S020-2700 Screening compound: 2-(4-methoxyphenyl)-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one

S020-2700 Screening compound: 2-(4-methoxyphenyl)-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
S020-2700 Screening compound: 2-(4-methoxyphenyl)-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S020-2700
2-(4-methoxyphenyl)-7-[3-(thiophen-2-yl)-1H-pyrazole-5-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

S020-2700

Molecular Formula

C22H19N5O3S (C22 H19 N5 O3 S)

Compound Name

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

IUPAC name

2-(4-methoxyphenyl)-7-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-1H4H5H6H7H8H-pyrido[34-d]pyrimidin-4-one

SMILES

COc(cc1)ccc1C(NC(C1)=C2CCN1C(c1cc(-c3cccs3)n[nH]1)=O)=NC2=O

InChI

InChI=1S/C22H19N5O3S/c1-30-14-6-4-13(5-7-14)20-23-18-12-27(9-8-15(18)21(28)24-20)22(29)17-11-16(25-26-17)19-3-2-10-31-19/h2-7,10-11H,8-9,12H2,1H3,(H,25,26)(H,23,24,28)

InChI Key

GJMLLDHEUFUNPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

1.189

Water Solubility, LogSw

-3.57

Polar Surface Area

82.303

Acid Dissociation Constant (pKa)

5.76

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

S020-2700 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S020-2700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S020-2700?
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What is the minimum amount of S020-2700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S020-2700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S020-2700
  • 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 S020-2700 available by request