SC16-0002 Screening compound: cyclohexyl[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone

SC16-0002 Screening compound: cyclohexyl[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone
SC16-0002 Screening compound: cyclohexyl[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0002
cyclohexyl[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]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

SC16-0002

Molecular Formula

C19H30N4O4S (C19 H30 N4 O4 S)

Compound Name

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

IUPAC name

4-{5-[(1-cyclohexanecarbonylazetidin-3-yl)methyl]-124-oxadiazol-3-yl}-1-methanesulfonylpiperidine

SMILES

CS(N(CC1)CCC1c1noc(CC(C2)CN2C(C2CCCCC2)=O)n1)(=O)=O

InChI

InChI=1S/C19H30N4O4S/c1-28(25,26)23-9-7-15(8-10-23)18-20-17(27-21-18)11-14-12-22(13-14)19(24)16-5-3-2-4-6-16/h14-16H,2-13H2,1H3

InChI Key

VROKHPOJUYZOAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.457

Distribution Coefficient, logD

2.457

Water Solubility, LogSw

-2.37

Polar Surface Area

79.823

Acid Dissociation Constant (pKa)

22.76

Base Dissociation Constant (pKb)

1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

84.21

SC16-0002 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 SC16-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0002?
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What is the minimum amount of SC16-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0002
  • 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 SC16-0002 available by request