M378-0686 Screening compound: 2-(4-methoxyphenyl)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-ethanone

M378-0686 Screening compound: 2-(4-methoxyphenyl)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-ethanone
M378-0686 Screening compound: 2-(4-methoxyphenyl)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0686
2-(4-methoxyphenyl)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-ethanone

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

M378-0686

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

2-(4-methoxyphenyl)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-ethanone

IUPAC name

2-(4-methoxyphenyl)-1-{3-methyl-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraen-10-yl}ethan-1-one

SMILES

Cn1c2cccc(CN(CC3)C(Cc(cc4)ccc4OC)=O)c2c3c1

InChI

InChI=1S/C21H22N2O2/c1-22-13-17-10-11-23(14-16-4-3-5-19(22)21(16)17)20(24)12-15-6-8-18(25-2)9-7-15/h3-9,13H,10-12,14H2,1-2H3

InChI Key

JFHCYYZIKXCTIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.310

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.56

Polar Surface Area

26.456

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

M378-0686 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M378-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0686?
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What is the minimum amount of M378-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0686
  • 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 M378-0686 available by request