3341-1622 Screening compound: 3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one

3341-1622 Screening compound: 3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
3341-1622 Screening compound: 3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-1622
3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-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

3341-1622

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

3-[(E)-[(butan-2-yl)imino]methyl]-9-methyl-2-(phenylamino)-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CCC(C)/N=C/C1=C(Nc2ccccc2)N=C(C(C)=CC=C2)N2C1=O

InChI

InChI=1S/C20H22N4O/c1-4-15(3)21-13-17-18(22-16-10-6-5-7-11-16)23-19-14(2)9-8-12-24(19)20(17)25/h5-13,15,22H,4H2,1-3H3/t15-/m0/s1

InChI Key

LGBHTVHMCNLCHI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02252605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.461

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.54

Polar Surface Area

41.843

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

3341-1622 in Drug Discovery

Included in Screening Libraries

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 3341-1622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-1622?
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What is the minimum amount of 3341-1622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-1622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-1622
  • 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 3341-1622 available by request