SC04-0421 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

SC04-0421 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone
SC04-0421 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0421
2-(3,5-dimethyl-4-isoxazolyl)-1-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

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

SC04-0421

Molecular Formula

C21H30N4O5 (C21 H30 N4 O5)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-1-{3-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino}-1-ethanone

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-(3-{2-[5-(oxan-4-yl)-124-oxadiazol-3-yl]ethoxy}piperidin-1-yl)ethan-1-one

SMILES

Cc1noc(C)c1CC(N(CCC1)CC1OCCc1noc(C2CCOCC2)n1)=O

InChI

InChI=1S/C21H30N4O5/c1-14-18(15(2)29-23-14)12-20(26)25-8-3-4-17(13-25)28-11-7-19-22-21(30-24-19)16-5-9-27-10-6-16/h16-17H,3-13H2,1-2H3/t17-/m0/s1

InChI Key

QLHBYTKBWAHMHJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32252893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-1.81

Polar Surface Area

85.760

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

SC04-0421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC04-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0421?
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What is the minimum amount of SC04-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0421
  • 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 SC04-0421 available by request