E977-0667 Screening compound: N-(3,5-dimethoxyphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

E977-0667 Screening compound: N-(3,5-dimethoxyphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
E977-0667 Screening compound: N-(3,5-dimethoxyphenyl)-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 E977-0667
N-(3,5-dimethoxyphenyl)-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

E977-0667

Molecular Formula

C24H29N3O6S (C24 H29 N3 O6 S)

Compound Name

N-(3,5-dimethoxyphenyl)-1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

IUPAC name

N-(35-dimethoxyphenyl)-1-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide

SMILES

COc1cc(NC(C(CCC2)CN2S(c(cc2)cc(CCC3)c2NC3=O)(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C24H29N3O6S/c1-32-19-12-18(13-20(14-19)33-2)25-24(29)17-6-4-10-27(15-17)34(30,31)21-8-9-22-16(11-21)5-3-7-23(28)26-22/h8-9,11-14,17H,3-7,10,15H2,1-2H3,(H,25,29)(H,26,28)/t17-/m0/s1

InChI Key

YXOZLSVHNMQALW-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14934774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.89

Polar Surface Area

95.213

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

E977-0667 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E977-0667 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0667?
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What is the minimum amount of E977-0667 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0667
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0667
  • 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 E977-0667 available by request