M379-0682 Screening compound: ethyl 3-{[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}-3-phenylpropanoate

M379-0682 Screening compound: ethyl 3-{[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}-3-phenylpropanoate
M379-0682 Screening compound: ethyl 3-{[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M379-0682
ethyl 3-{[(1-ethyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indol-5-yl)carbonyl]amino}-3-phenylpropanoate

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

M379-0682

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c2cccc(CN(CC3)C(NC(CC(OCC)=O)c4ccccc4)=O)c2c3c1

InChI

InChI=1S/C25H29N3O3/c1-3-27-16-20-13-14-28(17-19-11-8-12-22(27)24(19)20)25(30)26-21(15-23(29)31-4-2)18-9-6-5-7-10-18/h5-12,16,21H,3-4,13-15,17H2,1-2H3,(H,26,30)/t21-/m0/s1

InChI Key

UIYIFUHCVOBFQM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27539740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.285

Distribution Coefficient, logD

4.285

Water Solubility, LogSw

-4.17

Polar Surface Area

48.540

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

M379-0682 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 M379-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M379-0682?
Check Price and Availability of M379-0682, 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 M379-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M379-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M379-0682
  • 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 M379-0682 available by request