E977-0053 Screening compound: ethyl 4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate

E977-0053 Screening compound: ethyl 4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate
E977-0053 Screening compound: ethyl 4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E977-0053
ethyl 4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate

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

E977-0053

Molecular Formula

C17H23N3O5S (C17 H23 N3 O5 S)

Compound Name

ethyl 4-[(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(2-oxo-2345-tetrahydro-1H-1-benzazepin-7-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)cc(CCC2)c1NC2=O)(=O)=O)=O

InChI

InChI=1S/C17H23N3O5S/c1-2-25-17(22)19-8-10-20(11-9-19)26(23,24)14-6-7-15-13(12-14)4-3-5-16(21)18-15/h6-7,12H,2-5,8-11H2,1H3,(H,18,21)

InChI Key

KLFLXRRVDMZBRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.299

Distribution Coefficient, logD

1.299

Water Solubility, LogSw

-2.53

Polar Surface Area

79.881

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

E977-0053 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E977-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E977-0053?
Check Price and Availability of E977-0053, 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 E977-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E977-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E977-0053
  • 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 E977-0053 available by request