S021-1155 Screening compound: N~6~-(4-acetylphenyl)-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide

S021-1155 Screening compound: N~6~-(4-acetylphenyl)-9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidine-6(1H)-carboxamide
S021-1155 Screening compound: N~6~-(4-acetylphenyl)-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 S021-1155
N~6~-(4-acetylphenyl)-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

S021-1155

Molecular Formula

C24H21N5O3 (C24 H21 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c(cc1)ccc1NC(N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O)=O)=O

InChI

InChI=1S/C24H21N5O3/c1-15(30)16-7-9-18(10-8-16)25-24(32)28-12-11-19-21(14-28)26-22-13-20(27-29(22)23(19)31)17-5-3-2-4-6-17/h2-10,13,27H,11-12,14H2,1H3,(H,25,32)

InChI Key

FUWHLVAMKROSGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.101

Distribution Coefficient, logD

2.101

Water Solubility, LogSw

-2.77

Polar Surface Area

79.441

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

S021-1155 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 S021-1155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1155?
Check Price and Availability of S021-1155, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S021-1155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1155
  • 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 S021-1155 available by request