5282-0432 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0432 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0432 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0432
2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-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

5282-0432

Molecular Formula

C27H30N6O3 (C27 H30 N6 O3)

Compound Name

2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

6-imino-13-methyl-7-[2-(morpholin-4-yl)ethyl]-2-oxo-N-(2-phenylethyl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C=CC1=NC(N2CCN3CCOCC3)=C3C=C(C(NCCc4ccccc4)=O)C2=N)=CN1C3=O

InChI

InChI=1S/C27H30N6O3/c1-19-7-8-23-30-25-22(27(35)33(23)18-19)17-21(26(34)29-10-9-20-5-3-2-4-6-20)24(28)32(25)12-11-31-13-15-36-16-14-31/h2-8,17-18,28H,9-16H2,1H3,(H,29,34)

InChI Key

SFHGDCGOMVVLAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.963

Distribution Coefficient, logD

0.889

Water Solubility, LogSw

-1.73

Polar Surface Area

80.912

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5282-0432 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5282-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0432?
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What is the minimum amount of 5282-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0432
  • 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 5282-0432 available by request