M468-4468 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-tert-butylacetamide

M468-4468 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-tert-butylacetamide
M468-4468 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4468
2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-tert-butylacetamide

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

M468-4468

Molecular Formula

C22H30N4O2 (C22 H30 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-tert-butylacetamide

IUPAC name

2-{6-benzyl-2-ethyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-3-yl}-N-tert-butylacetamide

SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-5-19-23-18-11-12-25(13-16-9-7-6-8-10-16)14-17(18)21(28)26(19)15-20(27)24-22(2,3)4/h6-10H,5,11-15H2,1-4H3,(H,24,27)

InChI Key

JFMCJKVIJATHKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.68

Polar Surface Area

52.489

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M468-4468 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 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
  • 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 M468-4468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4468?
Check Price and Availability of M468-4468, 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 M468-4468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4468
  • 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 M468-4468 available by request