5282-1002 Screening compound: N~3~-cyclohexyl-1-(3-ethoxypropyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-1002 Screening compound: N~3~-cyclohexyl-1-(3-ethoxypropyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-1002 Screening compound: N~3~-cyclohexyl-1-(3-ethoxypropyl)-2-imino-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 5282-1002
N~3~-cyclohexyl-1-(3-ethoxypropyl)-2-imino-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

5282-1002

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCN(C(C(C(NC1CCCCC1)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C24H31N5O3/c1-3-32-13-7-12-28-21(25)18(23(30)26-17-8-5-4-6-9-17)14-19-22(28)27-20-11-10-16(2)15-29(20)24(19)31/h10-11,14-15,17,25H,3-9,12-13H2,1-2H3,(H,26,30)

InChI Key

JXRXTZFVIZQIJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03510313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.57

Polar Surface Area

77.154

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

5282-1002 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 5282-1002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-1002?
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What is the minimum amount of 5282-1002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-1002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-1002
  • 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 5282-1002 available by request