5282-0402 Screening compound: N~3~-allyl-2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0402 Screening compound: N~3~-allyl-2-imino-8-methyl-1-(2-morpholinoethyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0402 Screening compound: N~3~-allyl-2-imino-8-methyl-1-(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 5282-0402
N~3~-allyl-2-imino-8-methyl-1-(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

5282-0402

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

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

SMILES

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

InChI

InChI=1S/C22H26N6O3/c1-3-6-24-21(29)16-13-17-20(25-18-5-4-15(2)14-28(18)22(17)30)27(19(16)23)8-7-26-9-11-31-12-10-26/h3-5,13-14,23H,1,6-12H2,2H3,(H,24,29)

InChI Key

OMLCWQLOGVTYSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.141

Distribution Coefficient, logD

-0.223

Water Solubility, LogSw

-1.01

Polar Surface Area

81.184

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 5282-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0402?
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What is the minimum amount of 5282-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0402
  • 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 5282-0402 available by request