E977-0894 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide

E977-0894 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide
E977-0894 Screening compound: N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0894
N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide

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

E977-0894

Molecular Formula

C21H25N3O5S (C21 H25 N3 O5 S)

Compound Name

N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-3-(2-oxo-2345-tetrahydro-1H-1-benzazepine-7-sulfonamido)propanamide

SMILES

COc1ccc(CNC(CCNS(c(cc2)cc(CCC3)c2NC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C21H25N3O5S/c1-29-17-7-5-15(6-8-17)14-22-20(25)11-12-23-30(27,28)18-9-10-19-16(13-18)3-2-4-21(26)24-19/h5-10,13,23H,2-4,11-12,14H2,1H3,(H,22,25)(H,24,26)

InChI Key

ABPKVBWPJIFGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

1.493

Water Solubility, LogSw

-2.40

Polar Surface Area

99.005

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E977-0894 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E977-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0894?
Check Price and Availability of E977-0894, 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 E977-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0894
  • 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 E977-0894 available by request