M468-4676 Screening compound: 2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

M468-4676 Screening compound: 2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
M468-4676 Screening compound: 2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4676
2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

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

M468-4676

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

IUPAC name

2-[6-benzyl-4-oxo-2-(propan-2-yl)-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-3-yl]-N-methyl-N-phenylacetamide

SMILES

CC(C)C(N1CC(N(C)c2ccccc2)=O)=NC(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C26H30N4O2/c1-19(2)25-27-23-14-15-29(16-20-10-6-4-7-11-20)17-22(23)26(32)30(25)18-24(31)28(3)21-12-8-5-9-13-21/h4-13,19H,14-18H2,1-3H3

InChI Key

HOUPLXIFNQEPHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.42

Polar Surface Area

44.179

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

M468-4676 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M468-4676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4676?
Check Price and Availability of M468-4676, 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 M468-4676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4676
  • 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 M468-4676 available by request