5282-0802 Screening compound: 1-cyclopentyl-2-imino-N~3~-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0802 Screening compound: 1-cyclopentyl-2-imino-N~3~-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0802 Screening compound: 1-cyclopentyl-2-imino-N~3~-(2-morpholinoethyl)-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 5282-0802
1-cyclopentyl-2-imino-N~3~-(2-morpholinoethyl)-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

5282-0802

Molecular Formula

C23H28N6O3 (C23 H28 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

N=C(C(C(NCCN1CCOCC1)=O)=C1)N(C2CCCC2)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C23H28N6O3/c24-20-17(22(30)25-8-10-27-11-13-32-14-12-27)15-18-21(29(20)16-5-1-2-6-16)26-19-7-3-4-9-28(19)23(18)31/h3-4,7,9,15-16,24H,1-2,5-6,8,10-14H2,(H,25,30)

InChI Key

YPWCXXFHARYVQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03510132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.247

Distribution Coefficient, logD

0.126

Water Solubility, LogSw

-0.85

Polar Surface Area

80.003

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

5282-0802 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Annotated Library (688 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

References: we are preparing a list of scientific research reports with 5282-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0802?
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What is the minimum amount of 5282-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0802
  • 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 5282-0802 available by request