M468-4196 Screening compound: 2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide

M468-4196 Screening compound: 2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide
M468-4196 Screening compound: 2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4196
2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide

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

M468-4196

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(2,3-dimethoxyphenyl)methyl]acetamide

IUPAC name

2-{6-benzyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-3-yl}-N-[(23-dimethoxyphenyl)methyl]acetamide

SMILES

COc1cccc(CNC(CN(C=NC2=C3CN(Cc4ccccc4)CC2)C3=O)=O)c1OC

InChI

InChI=1S/C25H28N4O4/c1-32-22-10-6-9-19(24(22)33-2)13-26-23(30)16-29-17-27-21-11-12-28(15-20(21)25(29)31)14-18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3,(H,26,30)

InChI Key

VXJGZOLFUUNCPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.922

Distribution Coefficient, logD

1.911

Water Solubility, LogSw

-2.33

Polar Surface Area

69.603

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

M468-4196 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M468-4196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4196?
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What is the minimum amount of M468-4196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4196
  • 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 M468-4196 available by request