E977-0179 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

E977-0179 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
E977-0179 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0179
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

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

E977-0179

Molecular Formula

C22H28N2O5S (C22 H28 N2 O5 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamide

SMILES

CCOc(ccc(CCNS(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)c1)c1OCC

InChI

InChI=1S/C22H28N2O5S/c1-3-28-20-11-8-16(14-21(20)29-4-2)12-13-23-30(26,27)18-9-10-19-17(15-18)6-5-7-22(25)24-19/h8-11,14-15,23H,3-7,12-13H2,1-2H3,(H,24,25)

InChI Key

LBVZRXPJRAZPRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.360

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-3.00

Polar Surface Area

81.411

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E977-0179 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 E977-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0179?
Check Price and Availability of E977-0179, 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 E977-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0179
  • 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 E977-0179 available by request