M378-0626 Screening compound: (E)-1-[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]-3-(4-methylphenyl)-2-propen-1-one

M378-0626 Screening compound: (E)-1-[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]-3-(4-methylphenyl)-2-propen-1-one
M378-0626 Screening compound: (E)-1-[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]-3-(4-methylphenyl)-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0626
(E)-1-[1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl]-3-(4-methylphenyl)-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

M378-0626

Molecular Formula

C24H26N2O2 (C24 H26 N2 O2)

Compound Name

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

IUPAC name

(2E)-1-[3-(2-methoxyethyl)-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraen-10-yl]-3-(4-methylphenyl)prop-2-en-1-one

SMILES

Cc1ccc(/C=C/C(N(CCc2cn3CCOC)Cc4c2c3ccc4)=O)cc1

InChI

InChI=1S/C24H26N2O2/c1-18-6-8-19(9-7-18)10-11-23(27)26-13-12-21-16-25(14-15-28-2)22-5-3-4-20(17-26)24(21)22/h3-11,16H,12-15,17H2,1-2H3

InChI Key

UUYVYIXOISOSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-4.16

Polar Surface Area

26.677

Acid Dissociation Constant (pKa)

26.37

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

M378-0626 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Indole Derivatives (10091 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

References: we are preparing a list of scientific research reports with M378-0626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0626?
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What is the minimum amount of M378-0626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0626
  • 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 M378-0626 available by request