M468-4481 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(3,4-dimethylphenyl)methyl]acetamide

M468-4481 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(3,4-dimethylphenyl)methyl]acetamide
M468-4481 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(3,4-dimethylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4481
2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[(3,4-dimethylphenyl)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

M468-4481

Molecular Formula

C27H32N4O2 (C27 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-[(3,4-dimethylphenyl)methyl]acetamide

IUPAC name

2-{6-benzyl-2-ethyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-3-yl}-N-[(34-dimethylphenyl)methyl]acetamide

SMILES

CCC(N1CC(NCc2cc(C)c(C)cc2)=O)=NC(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C27H32N4O2/c1-4-25-29-24-12-13-30(16-21-8-6-5-7-9-21)17-23(24)27(33)31(25)18-26(32)28-15-22-11-10-19(2)20(3)14-22/h5-11,14H,4,12-13,15-18H2,1-3H3,(H,28,32)

InChI Key

KFSWBUHTWGQZJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.277

Water Solubility, LogSw

-3.35

Polar Surface Area

53.393

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

M468-4481 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M468-4481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4481?
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What is the minimum amount of M468-4481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4481
  • 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 M468-4481 available by request