S021-1438 Screening compound: 2-(2-chlorophenyl)-N~6~-(3-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1438 Screening compound: 2-(2-chlorophenyl)-N~6~-(3-methoxyphenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1438 Screening compound: 2-(2-chlorophenyl)-N~6~-(3-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 S021-1438
2-(2-chlorophenyl)-N~6~-(3-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

S021-1438

Molecular Formula

C23H20ClN5O3 (C23 H20 ClN5 O3)

Compound Name

2-(2-chlorophenyl)-N~6~-(3-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-(3-methoxyphenyl)-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carboxamide

SMILES

COc1cccc(NC(N(CC2)CC(N=C3N4NC(c(cccc5)c5Cl)=C3)=C2C4=O)=O)c1

InChI

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

InChI Key

WKUCVEKSJUVLLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029465

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

3.144

Distribution Coefficient, logD

3.143

Water Solubility, LogSw

-3.64

Polar Surface Area

73.158

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

S021-1438 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 S021-1438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1438?
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What is the minimum amount of S021-1438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1438
  • 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 S021-1438 available by request