SC04-0287 Screening compound: 3,5-dimethyl-4-isoxazolyl {3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone

SC04-0287 Screening compound: 3,5-dimethyl-4-isoxazolyl {3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone
SC04-0287 Screening compound: 3,5-dimethyl-4-isoxazolyl {3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC04-0287
3,5-dimethyl-4-isoxazolyl {3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone

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

SC04-0287

Molecular Formula

C20H24N4O5S (C20 H24 N4 O5 S)

Compound Name

3,5-dimethyl-4-isoxazolyl {3-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-3-[2-(5-phenyl-124-oxadiazol-3-yl)ethoxy]piperidine

SMILES

Cc1noc(C)c1S(N(CCC1)CC1OCCc1noc(-c2ccccc2)n1)(=O)=O

InChI

InChI=1S/C20H24N4O5S/c1-14-19(15(2)28-22-14)30(25,26)24-11-6-9-17(13-24)27-12-10-18-21-20(29-23-18)16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-13H2,1-2H3/t17-/m0/s1

InChI Key

QSPJOAFPFSBYFQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32253057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-2.34

Polar Surface Area

93.249

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

SC04-0287 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SC04-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC04-0287?
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What is the minimum amount of SC04-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC04-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC04-0287
  • 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 SC04-0287 available by request