SC16-0039 Screening compound: 5-{[1-(isopropylsulfonyl)-3-azetanyl]methyl}-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

SC16-0039 Screening compound: 5-{[1-(isopropylsulfonyl)-3-azetanyl]methyl}-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole
SC16-0039 Screening compound: 5-{[1-(isopropylsulfonyl)-3-azetanyl]methyl}-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0039
5-{[1-(isopropylsulfonyl)-3-azetanyl]methyl}-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

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

SC16-0039

Molecular Formula

C15H26N4O5S2 (C15 H26 N4 O5 S2)

Compound Name

5-{[1-(isopropylsulfonyl)-3-azetanyl]methyl}-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

IUPAC name

1-methanesulfonyl-4-(5-{[1-(propane-2-sulfonyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)piperidine

SMILES

CC(C)S(N1CC(Cc2nc(C(CC3)CCN3S(C)(=O)=O)no2)C1)(=O)=O

InChI

InChI=1S/C15H26N4O5S2/c1-11(2)26(22,23)19-9-12(10-19)8-14-16-15(17-24-14)13-4-6-18(7-5-13)25(3,20)21/h11-13H,4-10H2,1-3H3

InChI Key

QWIZQNTUOKBRPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.287

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-1.59

Polar Surface Area

94.965

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

86.67

SC16-0039 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 SC16-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0039?
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What is the minimum amount of SC16-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0039
  • 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 SC16-0039 available by request