E977-0279 Screening compound: N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide

E977-0279 Screening compound: N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide
E977-0279 Screening compound: N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0279
N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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

E977-0279

Molecular Formula

C23H28N4O4S (C23 H28 N4 O4 S)

Compound Name

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

IUPAC name

N-methyl-2-oxo-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2345-tetrahydro-1H-1-benzazepine-7-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c1ccccc1)=O)S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C23H28N4O4S/c1-25(17-23(29)27-14-12-26(13-15-27)19-7-3-2-4-8-19)32(30,31)20-10-11-21-18(16-20)6-5-9-22(28)24-21/h2-4,7-8,10-11,16H,5-6,9,12-15,17H2,1H3,(H,24,28)

InChI Key

RZVGIRSNOZJPKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.607

Distribution Coefficient, logD

1.607

Water Solubility, LogSw

-2.68

Polar Surface Area

77.607

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E977-0279 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0279?
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What is the minimum amount of E977-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0279
  • 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 E977-0279 available by request