M378-0786 Screening compound: 1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-propanone

M378-0786 Screening compound: 1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-propanone
M378-0786 Screening compound: 1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0786
1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-1-propanone

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

M378-0786

Molecular Formula

C15H18N2O (C15 H18 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CCc1cn2C)Cc3c1c2ccc3)=O

InChI

InChI=1S/C15H18N2O/c1-3-14(18)17-8-7-12-9-16(2)13-6-4-5-11(10-17)15(12)13/h4-6,9H,3,7-8,10H2,1-2H3

InChI Key

YAKIZGVOARGPBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

242.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.261

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.40

Polar Surface Area

19.183

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M378-0786 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Fragments Library (11262 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with M378-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0786?
Check Price and Availability of M378-0786, 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 M378-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0786
  • 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 M378-0786 available by request