M378-0257 Screening compound: 1-(1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-2-(2-thienyl)-1-ethanone

M378-0257 Screening compound: 1-(1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-2-(2-thienyl)-1-ethanone
M378-0257 Screening compound: 1-(1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M378-0257
1-(1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)-2-(2-thienyl)-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

M378-0257

Molecular Formula

C21H24N2OS (C21 H24 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Cn1c2cccc(CN(CC3)C(Cc4cccs4)=O)c2c3c1

InChI

InChI=1S/C21H24N2OS/c1-15(2)12-23-14-17-8-9-22(20(24)11-18-6-4-10-25-18)13-16-5-3-7-19(23)21(16)17/h3-7,10,14-15H,8-9,11-13H2,1-2H3

InChI Key

DUNBBVUNBYEMCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.22

Polar Surface Area

19.374

Acid Dissociation Constant (pKa)

21.79

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M378-0257 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with M378-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M378-0257?
Check Price and Availability of M378-0257, 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 M378-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M378-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M378-0257
  • 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 M378-0257 available by request