M378-0122 Screening compound: (1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)(3-fluorophenyl)methanone

M378-0122 Screening compound: (1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)(3-fluorophenyl)methanone
M378-0122 Screening compound: (1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)(3-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0122
(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)(3-fluorophenyl)methanone

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

M378-0122

Molecular Formula

C20H19FN2O (C20 H19 FN2 O)

Compound Name

(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)(3-fluorophenyl)methanone

IUPAC name

3-ethyl-10-(3-fluorobenzoyl)-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene

SMILES

CCn1c2cccc(CN(CC3)C(c4cccc(F)c4)=O)c2c3c1

InChI

InChI=1S/C20H19FN2O/c1-2-22-12-16-9-10-23(13-15-6-4-8-18(22)19(15)16)20(24)14-5-3-7-17(21)11-14/h3-8,11-12H,2,9-10,13H2,1H3

InChI Key

DEBOWLGGKGGRKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.38

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

3.294

Distribution Coefficient, logD

3.294

Water Solubility, LogSw

-3.57

Polar Surface Area

18.608

Acid Dissociation Constant (pKa)

26.14

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M378-0122 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)

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

References: we are preparing a list of scientific research reports with M378-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0122?
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What is the minimum amount of M378-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0122
  • 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 M378-0122 available by request