E647-0076 Screening compound: 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide

E647-0076 Screening compound: 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide
E647-0076 Screening compound: 2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0076
2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide

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

E647-0076

Molecular Formula

C15H20N2O2 (C15 H20 N2 O2)

Compound Name

2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide

IUPAC name

2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)-N-propylacetamide

SMILES

CCCNC(CN(c1c(CCC2)cccc1)C2=O)=O

InChI

InChI=1S/C15H20N2O2/c1-2-10-16-14(18)11-17-13-8-4-3-6-12(13)7-5-9-15(17)19/h3-4,6,8H,2,5,7,9-11H2,1H3,(H,16,18)

InChI Key

CNVHTCNZERUEMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.236

Distribution Coefficient, logD

2.236

Water Solubility, LogSw

-2.64

Polar Surface Area

40.534

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

E647-0076 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E647-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0076?
Check Price and Availability of E647-0076, 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 E647-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0076
  • 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 E647-0076 available by request