3331-3719 Screening compound: 2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

3331-3719 Screening compound: 2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
3331-3719 Screening compound: 2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3719
2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

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

3331-3719

Molecular Formula

C21H18N4O2 (C21 H18 N4 O2)

Compound Name

2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-{[(furan-2-yl)methyl]amino}-9-methyl-3-[(E)-(phenylimino)methyl]-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(C1=NC(NCc2ccco2)=C2/C=N/c3ccccc3)=CC=CN1C2=O

InChI

InChI=1S/C21H18N4O2/c1-15-7-5-11-25-20(15)24-19(23-13-17-10-6-12-27-17)18(21(25)26)14-22-16-8-3-2-4-9-16/h2-12,14,23H,13H2,1H3

InChI Key

LRSZXQVABVJWTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.16

Polar Surface Area

49.878

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

3331-3719 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3331-3719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-3719?
Check Price and Availability of 3331-3719, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3331-3719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3719
  • 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 3331-3719 available by request