4476-4609 Screening compound: 2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

4476-4609 Screening compound: 2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
4476-4609 Screening compound: 2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-4609
2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-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

4476-4609

Molecular Formula

C24H22N4O (C24 H22 N4 O)

Compound Name

2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-(benzylamino)-3-[(E)-(benzylimino)methyl]-7-methyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(C=CC1=NC(NCc2ccccc2)=C2/C=N/Cc3ccccc3)=CN1C2=O

InChI

InChI=1S/C24H22N4O/c1-18-12-13-22-27-23(26-15-20-10-6-3-7-11-20)21(24(29)28(22)17-18)16-25-14-19-8-4-2-5-9-19/h2-13,16-17,26H,14-15H2,1H3

InChI Key

BQBPLVHLUDVKBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01124687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.47

Polar Surface Area

44.162

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4476-4609 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4476-4609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4609?
Check Price and Availability of 4476-4609, 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 4476-4609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4609
  • 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 4476-4609 available by request