E146-0857 Screening compound: [4-(2-PYRIDYL)PIPERAZINO](4H-THIOCHROMENO[3,4-D]ISOXAZOL-3-YL)METHANONE

E146-0857 Screening compound: [4-(2-PYRIDYL)PIPERAZINO](4H-THIOCHROMENO[3,4-D]ISOXAZOL-3-YL)METHANONE
E146-0857 Screening compound: [4-(2-PYRIDYL)PIPERAZINO](4H-THIOCHROMENO[3,4-D]ISOXAZOL-3-YL)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E146-0857
[4-(2-PYRIDYL)PIPERAZINO](4H-THIOCHROMENO[3,4-D]ISOXAZOL-3-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

E146-0857

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

[4-(2-PYRIDYL)PIPERAZINO](4H-THIOCHROMENO[3,4-D]ISOXAZOL-3-YL)METHANONE

IUPAC name

n/a

SMILES

O=C(c1noc-2c1CSc1c2cccc1)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C20H18N4O2S/c25-20(24-11-9-23(10-12-24)17-7-3-4-8-21-17)18-15-13-27-16-6-2-1-5-14(16)19(15)26-22-18/h1-8H,9-13H2

InChI Key

BIIGVBKWGOLHKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14842781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.301

Distribution Coefficient, logD

3.292

Water Solubility, LogSw

-3.69

Polar Surface Area

50.739

Acid Dissociation Constant (pKa)

19.32

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

E146-0857 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E146-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E146-0857?
Check Price and Availability of E146-0857, 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 E146-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E146-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E146-0857
  • 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 E146-0857 available by request