3331-3711 Screening compound: 2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

3331-3711 Screening compound: 2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
3331-3711 Screening compound: 2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-3711
2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-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

3331-3711

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-(benzylamino)-3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CC(C1=NC(NCc2ccccc2)=C2/C=N/CCO)=CC=CN1C2=O

InChI

InChI=1S/C19H20N4O2/c1-14-6-5-10-23-18(14)22-17(16(19(23)25)13-20-9-11-24)21-12-15-7-3-2-4-8-15/h2-8,10,13,21,24H,9,11-12H2,1H3

InChI Key

RKLJJLLJFJWUQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00857619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.244

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-1.54

Polar Surface Area

59.433

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

3331-3711 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 3331-3711 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 3331-3711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-3711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-3711
  • 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 3331-3711 available by request