M468-4416 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide

M468-4416 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide
M468-4416 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4416
2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-(3-methylbutyl)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

M468-4416

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(N1CC(NCCC(C)C)=O)=NC(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C23H32N4O2/c1-4-21-25-20-11-13-26(14-18-8-6-5-7-9-18)15-19(20)23(29)27(21)16-22(28)24-12-10-17(2)3/h5-9,17H,4,10-16H2,1-3H3,(H,24,28)

InChI Key

NKFYQACEDUVPDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.148

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.50

Polar Surface Area

53.506

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

M468-4416 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M468-4416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4416?
Check Price and Availability of M468-4416, 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 M468-4416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4416
  • 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 M468-4416 available by request