M379-0529 Screening compound: ethyl 3-{[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}benzoate

M379-0529 Screening compound: ethyl 3-{[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}benzoate
M379-0529 Screening compound: ethyl 3-{[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-0529
ethyl 3-{[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}benzoate

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

M379-0529

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1cccc(NC(N(CCc2cn3C)Cc4c2c3ccc4)=O)c1)=O

InChI

InChI=1S/C22H23N3O3/c1-3-28-21(26)15-6-4-8-18(12-15)23-22(27)25-11-10-17-13-24(2)19-9-5-7-16(14-25)20(17)19/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)

InChI Key

IHGPDOLKLIDGOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27539688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

4.124

Water Solubility, LogSw

-4.27

Polar Surface Area

49.014

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

M379-0529 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)

SH2 Library (10483 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
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Endocrine

References: we are preparing a list of scientific research reports with M379-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-0529?
Check Price and Availability of M379-0529, 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 M379-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-0529
  • 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 M379-0529 available by request