S021-1440 Screening compound: 2-(2-chlorophenyl)-N~6~-(2-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1440 Screening compound: 2-(2-chlorophenyl)-N~6~-(2-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1440 Screening compound: 2-(2-chlorophenyl)-N~6~-(2-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 S021-1440
2-(2-chlorophenyl)-N~6~-(2-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

S021-1440

Molecular Formula

C23H20ClN5O3 (C23 H20 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1NC(N(CC1)CC(N=C2N3NC(c(cccc4)c4Cl)=C2)=C1C3=O)=O

InChI

InChI=1S/C23H20ClN5O3/c1-32-20-9-5-4-8-17(20)26-23(31)28-11-10-15-19(13-28)25-21-12-18(27-29(21)22(15)30)14-6-2-3-7-16(14)24/h2-9,12,27H,10-11,13H2,1H3,(H,26,31)

InChI Key

JLLHAHZKTIHUSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.225

Water Solubility, LogSw

-3.68

Polar Surface Area

72.547

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S021-1440 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-1440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1440?
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What is the minimum amount of S021-1440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1440
  • 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 S021-1440 available by request