S021-1666 Screening compound: N~6~-(2-methoxyethyl)-2-(4-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1666 Screening compound: N~6~-(2-methoxyethyl)-2-(4-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1666 Screening compound: N~6~-(2-methoxyethyl)-2-(4-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1666
N~6~-(2-methoxyethyl)-2-(4-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

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

S021-1666

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

N~6~-(2-methoxyethyl)-2-(4-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

IUPAC name

N-(2-methoxyethyl)-5-(4-methoxyphenyl)-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carboxamide

SMILES

COCCNC(N(CC1)CC(N=C2N3NC(c(cc4)ccc4OC)=C2)=C1C3=O)=O

InChI

InChI=1S/C20H23N5O4/c1-28-10-8-21-20(27)24-9-7-15-17(12-24)22-18-11-16(23-25(18)19(15)26)13-3-5-14(29-2)6-4-13/h3-6,11,23H,7-10,12H2,1-2H3,(H,21,27)

InChI Key

VHFZBJSTXVFPPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.250

Distribution Coefficient, logD

1.250

Water Solubility, LogSw

-2.09

Polar Surface Area

82.936

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S021-1666 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-1666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1666?
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What is the minimum amount of S021-1666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1666
  • 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 S021-1666 available by request