S972-0773 Screening compound: 3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-2-one

S972-0773 Screening compound: 3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-2-one
S972-0773 Screening compound: 3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S972-0773
3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-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

S972-0773

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-2-one

IUPAC name

(3S5S)-3-benzyl-4-cyclobutanecarbonyl-1-methyl-5-[(pyridin-3-yloxy)methyl]piperazin-2-one

SMILES

CN(C[C@@H](COc1cnccc1)N([C@H]1Cc2ccccc2)C(C2CCC2)=O)C1=O

InChI

InChI=1S/C23H27N3O3/c1-25-15-19(16-29-20-11-6-12-24-14-20)26(22(27)18-9-5-10-18)21(23(25)28)13-17-7-3-2-4-8-17/h2-4,6-8,11-12,14,18-19,21H,5,9-10,13,15-16H2,1H3/t19-,21+/m1/s1

InChI Key

QLXKCLRUBKEAJF-CTNGQTDRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.064

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-1.76

Polar Surface Area

49.000

Acid Dissociation Constant (pKa)

20.74

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

S972-0773 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S972-0773 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S972-0773?
Check Price and Availability of S972-0773, 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 S972-0773 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S972-0773
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S972-0773
  • 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 S972-0773 available by request