E647-3873 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide

E647-3873 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide
E647-3873 Screening compound: N-{[4-(methylsulfanyl)phenyl]methyl}-2-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E647-3873
N-{[4-(methylsulfanyl)phenyl]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

E647-3873

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(NCc(cc1)ccc1SC)=O)N(c1c(CCC2)cccc1)C2=O

InChI

InChI=1S/C22H26N2O2S/c1-3-19(22(26)23-15-16-11-13-18(27-2)14-12-16)24-20-9-5-4-7-17(20)8-6-10-21(24)25/h4-5,7,9,11-14,19H,3,6,8,10,15H2,1-2H3,(H,23,26)/t19-/m0/s1

InChI Key

MCOGEYUSVVFZFD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14908734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

4.187

Water Solubility, LogSw

-4.26

Polar Surface Area

39.560

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

E647-3873 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 E647-3873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E647-3873?
Check Price and Availability of E647-3873, 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 E647-3873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E647-3873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E647-3873
  • 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 E647-3873 available by request