M379-0081 Screening compound: 1-ethyl-N~5~-(3-fluorophenyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

M379-0081 Screening compound: 1-ethyl-N~5~-(3-fluorophenyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
M379-0081 Screening compound: 1-ethyl-N~5~-(3-fluorophenyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-0081
1-ethyl-N~5~-(3-fluorophenyl)-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

M379-0081

Molecular Formula

C20H20FN3O (C20 H20 FN3 O)

Compound Name

1-ethyl-N~5~-(3-fluorophenyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

IUPAC name

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

SMILES

CCn1c2cccc(CN(CC3)C(Nc4cccc(F)c4)=O)c2c3c1

InChI

InChI=1S/C20H20FN3O/c1-2-23-12-15-9-10-24(13-14-5-3-8-18(23)19(14)15)20(25)22-17-7-4-6-16(21)11-17/h3-8,11-12H,2,9-10,13H2,1H3,(H,22,25)

InChI Key

RNEDDCIZWLBKPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-3.96

Polar Surface Area

27.429

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

M379-0081 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 M379-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-0081?
Check Price and Availability of M379-0081, 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 M379-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-0081
  • 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 M379-0081 available by request