S259-0897 Screening compound: {4-[(5-METHYL-4-ISOXAZOLYL)METHYL]PIPERAZINO}(1-METHYL-1H-PYRROL-2-YL)METHANONE

S259-0897 Screening compound: {4-[(5-METHYL-4-ISOXAZOLYL)METHYL]PIPERAZINO}(1-METHYL-1H-PYRROL-2-YL)METHANONE
S259-0897 Screening compound: {4-[(5-METHYL-4-ISOXAZOLYL)METHYL]PIPERAZINO}(1-METHYL-1H-PYRROL-2-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-0897
{4-[(5-METHYL-4-ISOXAZOLYL)METHYL]PIPERAZINO}(1-METHYL-1H-PYRROL-2-YL)METHANONE

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

S259-0897

Molecular Formula

C15H20N4O2 (C15 H20 N4 O2)

Compound Name

{4-[(5-METHYL-4-ISOXAZOLYL)METHYL]PIPERAZINO}(1-METHYL-1H-PYRROL-2-YL)METHANONE

IUPAC name

n/a

SMILES

Cc1c(CN(CC2)CCN2C(c2cccn2C)=O)cno1

InChI

InChI=1S/C15H20N4O2/c1-12-13(10-16-21-12)11-18-6-8-19(9-7-18)15(20)14-4-3-5-17(14)2/h3-5,10H,6-9,11H2,1-2H3

InChI Key

VYXVKZXFJOPIGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.031

Distribution Coefficient, logD

0.523

Water Solubility, LogSw

-1.64

Polar Surface Area

44.729

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

S259-0897 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S259-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-0897?
Check Price and Availability of S259-0897, 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 S259-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-0897
  • 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 S259-0897 available by request