E647-0296 Screening compound: 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

E647-0296 Screening compound: 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
E647-0296 Screening compound: 1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0296
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

E647-0296

Molecular Formula

C19H26N2O2 (C19 H26 N2 O2)

Compound Name

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

1-[2-(35-dimethylpiperidin-1-yl)-2-oxoethyl]-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

CC(CC(C)C1)CN1C(CN(c1c(CCC2)cccc1)C2=O)=O

InChI

InChI=1S/C19H26N2O2/c1-14-10-15(2)12-20(11-14)19(23)13-21-17-8-4-3-6-16(17)7-5-9-18(21)22/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3

InChI Key

JUNFABMQGJQFDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.71

Polar Surface Area

32.209

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

E647-0296 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E647-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0296?
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What is the minimum amount of E647-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0296
  • 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 E647-0296 available by request