S259-0466 Screening compound: 6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline

S259-0466 Screening compound: 6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline
S259-0466 Screening compound: 6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-0466
6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline

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

S259-0466

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

6-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline

IUPAC name

6-{4-[(35-dimethyl-12-oxazol-4-yl)methyl]piperazine-1-carbonyl}quinoline

SMILES

Cc1noc(C)c1CN(CC1)CCN1C(c1cc2cccnc2cc1)=O

InChI

InChI=1S/C20H22N4O2/c1-14-18(15(2)26-22-14)13-23-8-10-24(11-9-23)20(25)17-5-6-19-16(12-17)4-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3

InChI Key

DZFHXOQESABMNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

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

1.513

Distribution Coefficient, logD

1.143

Water Solubility, LogSw

-2.05

Polar Surface Area

51.228

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S259-0466 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S259-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-0466?
Check Price and Availability of S259-0466, 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 S259-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-0466
  • 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 S259-0466 available by request