E977-0081 Screening compound: 7-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

E977-0081 Screening compound: 7-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
E977-0081 Screening compound: 7-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0081
7-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

E977-0081

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

7-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

7-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

Cc1cc(N(CC2)CCN2S(c(cc2)cc(CCC3)c2NC3=O)(=O)=O)c(C)cc1

InChI

InChI=1S/C22H27N3O3S/c1-16-6-7-17(2)21(14-16)24-10-12-25(13-11-24)29(27,28)19-8-9-20-18(15-19)4-3-5-22(26)23-20/h6-9,14-15H,3-5,10-13H2,1-2H3,(H,23,26)

InChI Key

ATYXBLARFHPIKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.554

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-3.94

Polar Surface Area

60.061

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E977-0081 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E977-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0081?
Check Price and Availability of E977-0081, 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 E977-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0081
  • 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 E977-0081 available by request