M468-4118 Screening compound: ethyl 4-(2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}acetamido)benzoate

M468-4118 Screening compound: ethyl 4-(2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}acetamido)benzoate
M468-4118 Screening compound: ethyl 4-(2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4118
ethyl 4-(2-{6-benzyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}acetamido)benzoate

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

M468-4118

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CN(C=NC1=C2CN(Cc3ccccc3)CC1)C2=O)=O)=O

InChI

InChI=1S/C25H26N4O4/c1-2-33-25(32)19-8-10-20(11-9-19)27-23(30)16-29-17-26-22-12-13-28(15-21(22)24(29)31)14-18-6-4-3-5-7-18/h3-11,17H,2,12-16H2,1H3,(H,27,30)

InChI Key

MMFXCXXYENKILO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-3.17

Polar Surface Area

73.687

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

M468-4118 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 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

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

References: we are preparing a list of scientific research reports with M468-4118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4118?
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What is the minimum amount of M468-4118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4118
  • 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 M468-4118 available by request