E977-0754 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

E977-0754 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
E977-0754 Screening compound: 1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0754
1-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)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

E977-0754

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

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

IUPAC name

1-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]-N-(1234-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

SMILES

O=C(C(CCC1)CN1S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C26H31N3O4S/c30-25-12-4-8-19-16-21(13-14-23(19)27-25)34(32,33)29-15-5-9-20(17-29)26(31)28-24-11-3-7-18-6-1-2-10-22(18)24/h1-2,6,10,13-14,16,20,24H,3-5,7-9,11-12,15,17H2,(H,27,30)(H,28,31)

InChI Key

HIRTWLKEUNTQRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.45

Polar Surface Area

81.292

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

E977-0754 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0754?
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What is the minimum amount of E977-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0754
  • 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 E977-0754 available by request