E977-0198 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

E977-0198 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
E977-0198 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0198
N-[(2,5-dimethoxyphenyl)methyl]-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

E977-0198

Molecular Formula

C19H22N2O5S (C19 H22 N2 O5 S)

Compound Name

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

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamide

SMILES

COc(cc1)cc(CNS(c(cc2)cc(CCC3)c2NC3=O)(=O)=O)c1OC

InChI

InChI=1S/C19H22N2O5S/c1-25-15-6-9-18(26-2)14(10-15)12-20-27(23,24)16-7-8-17-13(11-16)4-3-5-19(22)21-17/h6-11,20H,3-5,12H2,1-2H3,(H,21,22)

InChI Key

FOTWRCHIHMWJEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-3.01

Polar Surface Area

82.323

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E977-0198 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0198?
Check Price and Availability of E977-0198, 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 E977-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0198
  • 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 E977-0198 available by request