5282-0969 Screening compound: N~3~-allyl-1-(3-ethoxypropyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0969 Screening compound: N~3~-allyl-1-(3-ethoxypropyl)-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0969 Screening compound: N~3~-allyl-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 5282-0969
N~3~-allyl-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

5282-0969

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

N~3~-allyl-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

7-(3-ethoxypropyl)-6-imino-13-methyl-2-oxo-N-(prop-2-en-1-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-4-9-23-20(27)15-12-16-19(25(18(15)22)10-6-11-29-5-2)24-17-8-7-14(3)13-26(17)21(16)28/h4,7-8,12-13,22H,1,5-6,9-11H2,2-3H3,(H,23,27)

InChI Key

JIZVYLKTWPZFFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03510280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.785

Distribution Coefficient, logD

0.714

Water Solubility, LogSw

-1.36

Polar Surface Area

77.542

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5282-0969 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 5282-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0969?
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What is the minimum amount of 5282-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0969
  • 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 5282-0969 available by request