5282-0787 Screening compound: N~3~-benzyl-1-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0787 Screening compound: N~3~-benzyl-1-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0787 Screening compound: N~3~-benzyl-1-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0787
N~3~-benzyl-1-cyclopentyl-2-imino-5-oxo-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

5282-0787

Molecular Formula

C24H23N5O2 (C24 H23 N5 O2)

Compound Name

N~3~-benzyl-1-cyclopentyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-benzyl-7-cyclopentyl-6-imino-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

N=C(C(C(NCc1ccccc1)=O)=C1)N(C2CCCC2)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C24H23N5O2/c25-21-18(23(30)26-15-16-8-2-1-3-9-16)14-19-22(29(21)17-10-4-5-11-17)27-20-12-6-7-13-28(20)24(19)31/h1-3,6-9,12-14,17,25H,4-5,10-11,15H2,(H,26,30)

InChI Key

OEAHGZLUGWRQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03510117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

2.127

Water Solubility, LogSw

-2.53

Polar Surface Area

68.270

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5282-0787 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CORONAVIRUS Library (20774 compounds)

Human GPCR Annotated Library (5539 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5282-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0787?
Check Price and Availability of 5282-0787, 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 5282-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0787
  • 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 5282-0787 available by request