E647-0102 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide

E647-0102 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
E647-0102 Screening compound: N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0102
N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide

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

E647-0102

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)acetamide

SMILES

COc1cccc(CNC(CN(c2c(CCC3)cccc2)C3=O)=O)c1

InChI

InChI=1S/C20H22N2O3/c1-25-17-9-4-6-15(12-17)13-21-19(23)14-22-18-10-3-2-7-16(18)8-5-11-20(22)24/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,21,23)

InChI Key

RAZHTOULAOOLJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.49

Polar Surface Area

47.965

Acid Dissociation Constant (pKa)

13.50

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E647-0102 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E647-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0102?
Check Price and Availability of E647-0102, 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 E647-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0102
  • 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 E647-0102 available by request