E977-0824 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

E977-0824 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
E977-0824 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0824
N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

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

E977-0824

Molecular Formula

C25H32N4O4S (C25 H32 N4 O4 S)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-1-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

SMILES

CN(C)c1ccc(CNC(C(CCC2)CN2S(c(cc2)cc(CCC3)c2NC3=O)(=O)=O)=O)cc1

InChI

InChI=1S/C25H32N4O4S/c1-28(2)21-10-8-18(9-11-21)16-26-25(31)20-6-4-14-29(17-20)34(32,33)22-12-13-23-19(15-22)5-3-7-24(30)27-23/h8-13,15,20H,3-7,14,16-17H2,1-2H3,(H,26,31)(H,27,30)/t20-/m0/s1

InChI Key

WOSCVECNIJOMMJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14934827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.829

Distribution Coefficient, logD

1.814

Water Solubility, LogSw

-2.63

Polar Surface Area

84.253

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E977-0824 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Receptors Annotated Library (5376 compounds)

PLpro Library (6343 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Immune system
  • animal
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0824 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0824?
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What is the minimum amount of E977-0824 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0824
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0824
  • 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 E977-0824 available by request