3332-4028 Screening compound: 3-[(E)-(benzylimino)methyl]-2-{[(furan-2-yl)methyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3332-4028 Screening compound: 3-[(E)-(benzylimino)methyl]-2-{[(furan-2-yl)methyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3332-4028 Screening compound: 3-[(E)-(benzylimino)methyl]-2-{[(furan-2-yl)methyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-4028
3-[(E)-(benzylimino)methyl]-2-{[(furan-2-yl)methyl]amino}-9-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

3332-4028

Molecular Formula

C22H20N4O2 (C22 H20 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1=NC(NCc2ccco2)=C2/C=N/Cc3ccccc3)=CC=CN1C2=O

InChI

InChI=1S/C22H20N4O2/c1-16-7-5-11-26-21(16)25-20(24-14-18-10-6-12-28-18)19(22(26)27)15-23-13-17-8-3-2-4-9-17/h2-12,15,24H,13-14H2,1H3

InChI Key

ZPYWZIVVBOJDQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01791883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.127

Water Solubility, LogSw

-3.11

Polar Surface Area

50.413

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3332-4028 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3332-4028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-4028?
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What is the minimum amount of 3332-4028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-4028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-4028
  • 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 3332-4028 available by request