S021-1144 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1144 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1144 Screening compound: N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-2-phenyl-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 S021-1144
N~6~-(2,3-dihydro-1H-inden-5-yl)-9-oxo-2-phenyl-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

S021-1144

Molecular Formula

C25H23N5O2 (C25 H23 N5 O2)

Compound Name

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

IUPAC name

N-(23-dihydro-1H-inden-5-yl)-8-oxo-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carboxamide

SMILES

O=C(Nc1cc(CCC2)c2cc1)N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O

InChI

InChI=1S/C25H23N5O2/c31-24-20-11-12-29(25(32)26-19-10-9-16-7-4-8-18(16)13-19)15-22(20)27-23-14-21(28-30(23)24)17-5-2-1-3-6-17/h1-3,5-6,9-10,13-14,28H,4,7-8,11-12,15H2,(H,26,32)

InChI Key

VHEOUZXFMFOVTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.63

Polar Surface Area

65.901

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

S021-1144 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 S021-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1144?
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What is the minimum amount of S021-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1144
  • 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 S021-1144 available by request