E647-1186 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanamide

E647-1186 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanamide
E647-1186 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-1186
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanamide

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

E647-1186

Molecular Formula

C21H32N4O2 (C21 H32 N4 O2)

Compound Name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)propanamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)propanamide

SMILES

CCN1CCN(CCNC(C(C)N(c2c(CCC3)cccc2)C3=O)=O)CC1

InChI

InChI=1S/C21H32N4O2/c1-3-23-13-15-24(16-14-23)12-11-22-21(27)17(2)25-19-9-5-4-7-18(19)8-6-10-20(25)26/h4-5,7,9,17H,3,6,8,10-16H2,1-2H3,(H,22,27)/t17-/m0/s1

InChI Key

NITIRLNNDOTNMH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27600951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.281

Distribution Coefficient, logD

0.488

Water Solubility, LogSw

-2.06

Polar Surface Area

47.336

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

E647-1186 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E647-1186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-1186?
Check Price and Availability of E647-1186, 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 E647-1186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-1186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-1186
  • 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 E647-1186 available by request