5282-0417 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0417 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0417 Screening compound: 2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-(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 5282-0417
2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-(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

5282-0417

Molecular Formula

C24H30N6O4 (C24 H30 N6 O4)

Compound Name

2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-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-[(oxolan-2-yl)methyl]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C=CC1=NC(N2CCN3CCOCC3)=C3C=C(C(NCC4OCCC4)=O)C2=N)=CN1C3=O

InChI

InChI=1S/C24H30N6O4/c1-16-4-5-20-27-22-19(24(32)30(20)15-16)13-18(23(31)26-14-17-3-2-10-34-17)21(25)29(22)7-6-28-8-11-33-12-9-28/h4-5,13,15,17,25H,2-3,6-12,14H2,1H3,(H,26,31)/t17-/m1/s1

InChI Key

QIOQUVCQLSXADL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03509788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.420

Distribution Coefficient, logD

-0.495

Water Solubility, LogSw

-0.93

Polar Surface Area

89.725

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5282-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0417?
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What is the minimum amount of 5282-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0417
  • 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 5282-0417 available by request