S519-0115 Screening compound: 4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}morpholin-3-one

S519-0115 Screening compound: 4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}morpholin-3-one
S519-0115 Screening compound: 4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}morpholin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S519-0115
4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-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

S519-0115

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}morpholin-3-one

IUPAC name

(5S)-4-benzyl-5-{4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl}morpholin-3-one

SMILES

O=C([C@H](COC1)N(Cc2ccccc2)C1=O)N1CCN(Cc2cccc(Cl)c2)CC1

InChI

InChI=1S/C23H26ClN3O3/c24-20-8-4-7-19(13-20)14-25-9-11-26(12-10-25)23(29)21-16-30-17-22(28)27(21)15-18-5-2-1-3-6-18/h1-8,13,21H,9-12,14-17H2/t21-/m0/s1

InChI Key

XFJUHUFMZDXQRS-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.235

Water Solubility, LogSw

-2.92

Polar Surface Area

45.742

Acid Dissociation Constant (pKa)

20.46

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

S519-0115 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S519-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S519-0115?
Check Price and Availability of S519-0115, 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 S519-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S519-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S519-0115
  • 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 S519-0115 available by request