SC16-0043 Screening compound: [3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl](tetrahydro-2H-pyran-4-yl)methanone

SC16-0043 Screening compound: [3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl](tetrahydro-2H-pyran-4-yl)methanone
SC16-0043 Screening compound: [3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl](tetrahydro-2H-pyran-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0043
[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl](tetrahydro-2H-pyran-4-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

SC16-0043

Molecular Formula

C18H28N4O5S (C18 H28 N4 O5 S)

Compound Name

[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl](tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

1-methanesulfonyl-4-(5-{[1-(oxane-4-carbonyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)piperidine

SMILES

CS(N(CC1)CCC1c1noc(CC(C2)CN2C(C2CCOCC2)=O)n1)(=O)=O

InChI

InChI=1S/C18H28N4O5S/c1-28(24,25)22-6-2-14(3-7-22)17-19-16(27-20-17)10-13-11-21(12-13)18(23)15-4-8-26-9-5-15/h13-15H,2-12H2,1H3

InChI Key

PUIKYAORVUARHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.111

Distribution Coefficient, logD

1.111

Water Solubility, LogSw

-1.68

Polar Surface Area

87.732

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.33

SC16-0043 in Drug Discovery

Included in Screening Libraries

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 SC16-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0043?
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What is the minimum amount of SC16-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0043
  • 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 SC16-0043 available by request