M379-0821 Screening compound: N-(2-furylmethyl)-1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

M379-0821 Screening compound: N-(2-furylmethyl)-1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
M379-0821 Screening compound: N-(2-furylmethyl)-1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-0821
N-(2-furylmethyl)-1-propyl-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

M379-0821

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

N-(2-furylmethyl)-1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-3-propyl-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene-10-carboxamide

SMILES

CCCn1c2cccc(CN(CC3)C(NCc4ccco4)=O)c2c3c1

InChI

InChI=1S/C20H23N3O2/c1-2-9-22-13-16-8-10-23(14-15-5-3-7-18(22)19(15)16)20(24)21-12-17-6-4-11-25-17/h3-7,11,13H,2,8-10,12,14H2,1H3,(H,21,24)

InChI Key

OKUNUGORBJFFGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

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

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-3.59

Polar Surface Area

36.753

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

M379-0821 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)

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 M379-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-0821?
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What is the minimum amount of M379-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-0821
  • 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 M379-0821 available by request