SC03-0438 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone

SC03-0438 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone
SC03-0438 Screening compound: 3,5-dimethyl-4-isoxazolyl {4-[2-(5-tetrahydro-2H-pyran-4-yl-1,2,4-oxadiazol-3-yl)ethoxy]piperidino} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC03-0438
3,5-dimethyl-4-isoxazolyl {4-[2-(5-tetrahydro-2H-pyran-4-yl-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

SC03-0438

Molecular Formula

C19H28N4O6S (C19 H28 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1S(N(CC1)CCC1OCCc1noc(C2CCOCC2)n1)(=O)=O

InChI

InChI=1S/C19H28N4O6S/c1-13-18(14(2)28-21-13)30(24,25)23-8-3-16(4-9-23)27-12-7-17-20-19(29-22-17)15-5-10-26-11-6-15/h15-16H,3-12H2,1-2H3

InChI Key

AHTCYAKGKZVIJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32250992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.373

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-1.66

Polar Surface Area

101.416

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.68

SC03-0438 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC03-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC03-0438?
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What is the minimum amount of SC03-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC03-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC03-0438
  • 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 SC03-0438 available by request