M379-1005 Screening compound: N~5~-(2-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

M379-1005 Screening compound: N~5~-(2-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
M379-1005 Screening compound: N~5~-(2-chloro-4-methylphenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-1005
N~5~-(2-chloro-4-methylphenyl)-1-(2-methoxyethyl)-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

M379-1005

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-3-(2-methoxyethyl)-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene-10-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(CCc1cn2CCOC)Cc3c1c2ccc3)=O

InChI

InChI=1S/C22H24ClN3O2/c1-15-6-7-19(18(23)12-15)24-22(27)26-9-8-17-13-25(10-11-28-2)20-5-3-4-16(14-26)21(17)20/h3-7,12-13H,8-11,14H2,1-2H3,(H,24,27)

InChI Key

ZJEKKMTZYYTGHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-4.42

Polar Surface Area

35.327

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

M379-1005 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)

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 M379-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-1005?
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What is the minimum amount of M379-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-1005
  • 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 M379-1005 available by request