M378-0820 Screening compound: (E)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-3-phenyl-2-propen-1-one

M378-0820 Screening compound: (E)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-3-phenyl-2-propen-1-one
M378-0820 Screening compound: (E)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-3-phenyl-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0820
(E)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-3-phenyl-2-propen-1-one

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

M378-0820

Molecular Formula

C21H20N2O (C21 H20 N2 O)

Compound Name

(E)-1-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-3-phenyl-2-propen-1-one

IUPAC name

(2E)-1-{3-methyl-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraen-10-yl}-3-phenylprop-2-en-1-one

SMILES

Cn1c2cccc(CN(CC3)C(/C=C/c4ccccc4)=O)c2c3c1

InChI

InChI=1S/C21H20N2O/c1-22-14-18-12-13-23(15-17-8-5-9-19(22)21(17)18)20(24)11-10-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3

InChI Key

OTCRZHGPKLQNRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.90

Polar Surface Area

18.912

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M378-0820 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M378-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0820?
Check Price and Availability of M378-0820, 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 M378-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0820
  • 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 M378-0820 available by request