M468-4414 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

M468-4414 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
M468-4414 Screening compound: 2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M468-4414
2-{6-benzyl-2-ethyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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

M468-4414

Molecular Formula

C26H34N4O2 (C26 H34 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-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

2-{6-benzyl-2-ethyl-4-oxo-3H4H5H6H7H8H-pyrido[43-d]pyrimidin-3-yl}-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

SMILES

CCC(N1CC(NCCC2=CCCCC2)=O)=NC(CCN(Cc2ccccc2)C2)=C2C1=O

InChI

InChI=1S/C26H34N4O2/c1-2-24-28-23-14-16-29(17-21-11-7-4-8-12-21)18-22(23)26(32)30(24)19-25(31)27-15-13-20-9-5-3-6-10-20/h4,7-9,11-12H,2-3,5-6,10,13-19H2,1H3,(H,27,31)

InChI Key

DDNCQLUPGKIVKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

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

2.425

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-2.66

Polar Surface Area

53.427

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

M468-4414 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with M468-4414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M468-4414?
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What is the minimum amount of M468-4414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M468-4414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M468-4414
  • 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 M468-4414 available by request