E647-0274 Screening compound: 1-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

E647-0274 Screening compound: 1-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
E647-0274 Screening compound: 1-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0274
1-[2-(4-cyclohexylpiperazino)-2-oxoethyl]-1,3,4,5-tetrahydro-2H-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

E647-0274

Molecular Formula

C22H31N3O2 (C22 H31 N3 O2)

Compound Name

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

IUPAC name

1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

O=C(CN(c1c(CCC2)cccc1)C2=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C22H31N3O2/c26-21-12-6-8-18-7-4-5-11-20(18)25(21)17-22(27)24-15-13-23(14-16-24)19-9-2-1-3-10-19/h4-5,7,11,19H,1-3,6,8-10,12-17H2

InChI Key

DSMFMZJGEVGPSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.27

Polar Surface Area

35.436

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.64

E647-0274 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E647-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0274?
Check Price and Availability of E647-0274, 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 E647-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0274
  • 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 E647-0274 available by request