M379-1168 Screening compound: ethyl 3-{[(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}propanoate

M379-1168 Screening compound: ethyl 3-{[(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}propanoate
M379-1168 Screening compound: ethyl 3-{[(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-1168
ethyl 3-{[(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}propanoate

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

M379-1168

Molecular Formula

C21H29N3O3 (C21 H29 N3 O3)

Compound Name

ethyl 3-{[(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}propanoate

IUPAC name

ethyl 3-({3-butyl-310-diazatricyclo[6.4.1.0^{413}]trideca-1468(13)-tetraene-10-carbonyl}amino)propanoate

SMILES

CCCCn1c2cccc(CN(CC3)C(NCCC(OCC)=O)=O)c2c3c1

InChI

InChI=1S/C21H29N3O3/c1-3-5-12-23-14-17-10-13-24(15-16-7-6-8-18(23)20(16)17)21(26)22-11-9-19(25)27-4-2/h6-8,14H,3-5,9-13,15H2,1-2H3,(H,22,26)

InChI Key

JPVOHIIUQABLII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.62

Polar Surface Area

49.276

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

M379-1168 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)

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 M379-1168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-1168?
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What is the minimum amount of M379-1168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-1168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-1168
  • 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 M379-1168 available by request