5282-0224 Screening compound: 2-imino-10-methyl-5-oxo-N~3~-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0224 Screening compound: 2-imino-10-methyl-5-oxo-N~3~-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0224 Screening compound: 2-imino-10-methyl-5-oxo-N~3~-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0224
2-imino-10-methyl-5-oxo-N~3~-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-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

5282-0224

Molecular Formula

C24H24N6O3 (C24 H24 N6 O3)

Compound Name

2-imino-10-methyl-5-oxo-N~3~-(3-pyridylmethyl)-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

6-imino-11-methyl-2-oxo-7-[(oxolan-2-yl)methyl]-N-[(pyridin-3-yl)methyl]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C1=NC(N2CC3OCCC3)=C3C=C(C(NCc4cnccc4)=O)C2=N)=CC=CN1C3=O

InChI

InChI=1S/C24H24N6O3/c1-15-5-3-9-29-21(15)28-22-19(24(29)32)11-18(20(25)30(22)14-17-7-4-10-33-17)23(31)27-13-16-6-2-8-26-12-16/h2-3,5-6,8-9,11-12,17,25H,4,7,10,13-14H2,1H3,(H,27,31)/t17-/m1/s1

InChI Key

XPXWHWPEIBBBCJ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03509629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

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

0.241

Distribution Coefficient, logD

0.229

Water Solubility, LogSw

-0.77

Polar Surface Area

85.875

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

5282-0224 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5282-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0224?
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What is the minimum amount of 5282-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0224
  • 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 5282-0224 available by request