5282-0783 Screening compound: 1-cyclopentyl-2-imino-N~3~-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0783 Screening compound: 1-cyclopentyl-2-imino-N~3~-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0783 Screening compound: 1-cyclopentyl-2-imino-N~3~-(3-methoxypropyl)-8-methyl-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 5282-0783
1-cyclopentyl-2-imino-N~3~-(3-methoxypropyl)-8-methyl-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

5282-0783

Molecular Formula

C22H27N5O3 (C22 H27 N5 O3)

Compound Name

1-cyclopentyl-2-imino-N~3~-(3-methoxypropyl)-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

7-cyclopentyl-6-imino-N-(3-methoxypropyl)-13-methyl-2-oxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C=CC1=NC(N2C3CCCC3)=C3C=C(C(NCCCOC)=O)C2=N)=CN1C3=O

InChI

InChI=1S/C22H27N5O3/c1-14-8-9-18-25-20-17(22(29)26(18)13-14)12-16(21(28)24-10-5-11-30-2)19(23)27(20)15-6-3-4-7-15/h8-9,12-13,15,23H,3-7,10-11H2,1-2H3,(H,24,28)

InChI Key

IAGAYDMDBPJNLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03448744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.171

Distribution Coefficient, logD

1.165

Water Solubility, LogSw

-1.68

Polar Surface Area

77.244

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 5282-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0783?
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What is the minimum amount of 5282-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0783
  • 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 5282-0783 available by request