E647-3747 Screening compound: N-[(2-chlorophenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

E647-3747 Screening compound: N-[(2-chlorophenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
E647-3747 Screening compound: N-[(2-chlorophenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-3747
N-[(2-chlorophenyl)methyl]-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

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

E647-3747

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-2-(2-oxo-2345-tetrahydro-1H-1-benzazepin-1-yl)butanamide

SMILES

CCC(C(NCc(cccc1)c1Cl)=O)N(c1c(CCC2)cccc1)C2=O

InChI

InChI=1S/C21H23ClN2O2/c1-2-18(21(26)23-14-16-9-3-5-11-17(16)22)24-19-12-6-4-8-15(19)10-7-13-20(24)25/h3-6,8-9,11-12,18H,2,7,10,13-14H2,1H3,(H,23,26)/t18-/m0/s1

InChI Key

RSVZZMZWBKBBQC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27600960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.249

Water Solubility, LogSw

-4.34

Polar Surface Area

39.560

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-2.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E647-3747 in Drug Discovery

Included in Screening Libraries

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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E647-3747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-3747?
Check Price and Availability of E647-3747, 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 E647-3747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-3747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-3747
  • 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 E647-3747 available by request