S796-0078 Screening compound: 4-phenyl-1,5-diazacycloundecan-2-one

S796-0078 Screening compound: 4-phenyl-1,5-diazacycloundecan-2-one
S796-0078 Screening compound: 4-phenyl-1,5-diazacycloundecan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S796-0078
4-phenyl-1,5-diazacycloundecan-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

S796-0078

Molecular Formula

C15H22N2O (C15 H22 N2 O)

Compound Name

4-phenyl-1,5-diazacycloundecan-2-one

IUPAC name

4-phenyl-15-diazacycloundecan-2-one

SMILES

O=C(C1)NCCCCCCNC1c1ccccc1

InChI

InChI=1S/C15H22N2O/c18-15-12-14(13-8-4-3-5-9-13)16-10-6-1-2-7-11-17-15/h3-5,8-9,14,16H,1-2,6-7,10-12H2,(H,17,18)/t14-/m0/s1

InChI Key

QEPQVPBBXKMHAU-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD30463839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.564

Distribution Coefficient, logD

0.259

Water Solubility, LogSw

-1.65

Polar Surface Area

37.626

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S796-0078 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S796-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S796-0078?
Check Price and Availability of S796-0078, 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 S796-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S796-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S796-0078
  • 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 S796-0078 available by request