S021-0029 Screening compound: 6-[2-(3-METHOXYPHENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRAZOLO[1,5-A]PYRIDO[3,4-D]PYRIMIDIN-9(1H)-ONE

S021-0029 Screening compound: 6-[2-(3-METHOXYPHENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRAZOLO[1,5-A]PYRIDO[3,4-D]PYRIMIDIN-9(1H)-ONE
S021-0029 Screening compound: 6-[2-(3-METHOXYPHENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRAZOLO[1,5-A]PYRIDO[3,4-D]PYRIMIDIN-9(1H)-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-0029
6-[2-(3-METHOXYPHENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRAZOLO[1,5-A]PYRIDO[3,4-D]PYRIMIDIN-9(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

S021-0029

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

6-[2-(3-METHOXYPHENYL)ACETYL]-5,6,7,8-TETRAHYDROPYRAZOLO[1,5-A]PYRIDO[3,4-D]PYRIMIDIN-9(1H)-ONE

IUPAC name

12-[2-(3-methoxyphenyl)acetyl]-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

COc1cccc(CC(N(CC2)CC(N=C3N4NC=C3)=C2C4=O)=O)c1

InChI

InChI=1S/C18H18N4O3/c1-25-13-4-2-3-12(9-13)10-17(23)21-8-6-14-15(11-21)20-16-5-7-19-22(16)18(14)24/h2-5,7,9,19H,6,8,10-11H2,1H3

InChI Key

JAPWZHCOYHQEKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

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

0.455

Distribution Coefficient, logD

0.454

Water Solubility, LogSw

-1.97

Polar Surface Area

62.032

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

S021-0029 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-0029?
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What is the minimum amount of S021-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-0029
  • 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 S021-0029 available by request