E647-1016 Screening compound: 1-[2-(4-ethylpiperazino)-1-methyl-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

E647-1016 Screening compound: 1-[2-(4-ethylpiperazino)-1-methyl-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
E647-1016 Screening compound: 1-[2-(4-ethylpiperazino)-1-methyl-2-oxoethyl]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-1016
1-[2-(4-ethylpiperazino)-1-methyl-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

E647-1016

Molecular Formula

C19H27N3O2 (C19 H27 N3 O2)

Compound Name

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

IUPAC name

1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

CCN(CC1)CCN1C(C(C)N(c1c(CCC2)cccc1)C2=O)=O

InChI

InChI=1S/C19H27N3O2/c1-3-20-11-13-21(14-12-20)19(24)15(2)22-17-9-5-4-7-16(17)8-6-10-18(22)23/h4-5,7,9,15H,3,6,8,10-14H2,1-2H3/t15-/m0/s1

InChI Key

FOSJFPJQGWFWJU-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27600930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.44

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

1.733

Distribution Coefficient, logD

1.477

Water Solubility, LogSw

-2.08

Polar Surface Area

35.747

Acid Dissociation Constant (pKa)

21.80

Base Dissociation Constant (pKb)

7.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

E647-1016 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E647-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-1016?
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What is the minimum amount of E647-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-1016
  • 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 E647-1016 available by request