E647-0319 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide

E647-0319 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide
E647-0319 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-0319
N-{[4-(methylsulfanyl)phenyl]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

E647-0319

Molecular Formula

C20H22N2O2S (C20 H22 N2 O2 S)

Compound Name

N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)acetamide

IUPAC name

N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)acetamide

SMILES

CSc1ccc(CNC(CN(c2c(CCC3)cccc2)C3=O)=O)cc1

InChI

InChI=1S/C20H22N2O2S/c1-25-17-11-9-15(10-12-17)13-21-19(23)14-22-18-7-3-2-5-16(18)6-4-8-20(22)24/h2-3,5,7,9-12H,4,6,8,13-14H2,1H3,(H,21,23)

InChI Key

SLWMELZZSKHSJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14908717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.888

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-3.97

Polar Surface Area

40.421

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E647-0319 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E647-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-0319?
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What is the minimum amount of E647-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-0319
  • 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 E647-0319 available by request