S021-1453 Screening compound: 2-(2-chlorophenyl)-9-oxo-N~6~-(tetrahydro-2-furanylmethyl)-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1453 Screening compound: 2-(2-chlorophenyl)-9-oxo-N~6~-(tetrahydro-2-furanylmethyl)-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1453 Screening compound: 2-(2-chlorophenyl)-9-oxo-N~6~-(tetrahydro-2-furanylmethyl)-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 S021-1453
2-(2-chlorophenyl)-9-oxo-N~6~-(tetrahydro-2-furanylmethyl)-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

S021-1453

Molecular Formula

C21H22ClN5O3 (C21 H22 ClN5 O3)

Compound Name

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

IUPAC name

n/a

SMILES

O=C(NCC1OCCC1)N(CC1)CC(N=C2N3NC(c(cccc4)c4Cl)=C2)=C1C3=O

InChI

InChI=1S/C21H22ClN5O3/c22-16-6-2-1-5-14(16)17-10-19-24-18-12-26(8-7-15(18)20(28)27(19)25-17)21(29)23-11-13-4-3-9-30-13/h1-2,5-6,10,13,25H,3-4,7-9,11-12H2,(H,23,29)/t13-/m1/s1

InChI Key

DNYKMBJVJRRNHK-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29029468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

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

1.449

Distribution Coefficient, logD

1.448

Water Solubility, LogSw

-3.03

Polar Surface Area

75.591

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

S021-1453 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S021-1453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1453?
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What is the minimum amount of S021-1453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1453
  • 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 S021-1453 available by request