S519-0005 Screening compound: 4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-one

S519-0005 Screening compound: 4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-one
S519-0005 Screening compound: 4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S519-0005
4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-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

S519-0005

Molecular Formula

C17H23N3O3 (C17 H23 N3 O3)

Compound Name

4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-one

IUPAC name

(5S)-4-benzyl-5-(4-methylpiperazine-1-carbonyl)morpholin-3-one

SMILES

CN(CC1)CCN1C([C@H](COC1)N(Cc2ccccc2)C1=O)=O

InChI

InChI=1S/C17H23N3O3/c1-18-7-9-19(10-8-18)17(22)15-12-23-13-16(21)20(15)11-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3/t15-/m0/s1

InChI Key

CZLHISOXAVWWBN-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.092

Distribution Coefficient, logD

-0.102

Water Solubility, LogSw

-1.23

Polar Surface Area

45.678

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.94

S519-0005 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S519-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S519-0005?
Check Price and Availability of S519-0005, 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 S519-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S519-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S519-0005
  • 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 S519-0005 available by request