5282-0091 Screening compound: N~3~-(2-furylmethyl)-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0091 Screening compound: N~3~-(2-furylmethyl)-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0091 Screening compound: N~3~-(2-furylmethyl)-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0091
N~3~-(2-furylmethyl)-2-imino-5-oxo-1-phenethyl-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

5282-0091

Molecular Formula

C25H21N5O3 (C25 H21 N5 O3)

Compound Name

N~3~-(2-furylmethyl)-2-imino-5-oxo-1-phenethyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

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

SMILES

N=C(C(C(NCc1ccco1)=O)=C1)N(CCc2ccccc2)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C25H21N5O3/c26-22-19(24(31)27-16-18-9-6-14-33-18)15-20-23(28-21-10-4-5-12-29(21)25(20)32)30(22)13-11-17-7-2-1-3-8-17/h1-10,12,14-15,26H,11,13,16H2,(H,27,31)

InChI Key

DAMDQEJEZBNBET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.47

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

2.605

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.81

Polar Surface Area

76.410

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

5282-0091 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5282-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0091?
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What is the minimum amount of 5282-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0091
  • 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 5282-0091 available by request