M379-0928 Screening compound: N~5~-(2,4-dimethoxyphenyl)-1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

M379-0928 Screening compound: N~5~-(2,4-dimethoxyphenyl)-1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
M379-0928 Screening compound: N~5~-(2,4-dimethoxyphenyl)-1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-0928
N~5~-(2,4-dimethoxyphenyl)-1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

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

M379-0928

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

N~5~-(2,4-dimethoxyphenyl)-1-isobutyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

IUPAC name

N-(24-dimethoxyphenyl)-3-(2-methylpropyl)-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene-10-carboxamide

SMILES

CC(C)Cn1c2cccc(CN(CC3)C(Nc(ccc(OC)c4)c4OC)=O)c2c3c1

InChI

InChI=1S/C24H29N3O3/c1-16(2)13-27-15-18-10-11-26(14-17-6-5-7-21(27)23(17)18)24(28)25-20-9-8-19(29-3)12-22(20)30-4/h5-9,12,15-16H,10-11,13-14H2,1-4H3,(H,25,28)

InChI Key

WLEGULRBBJPLDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.62

Polar Surface Area

42.181

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M379-0928 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with M379-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-0928?
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What is the minimum amount of M379-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-0928
  • 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 M379-0928 available by request