SC16-0086 Screening compound: N-isobutyl-3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanecarboxamide

SC16-0086 Screening compound: N-isobutyl-3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanecarboxamide
SC16-0086 Screening compound: N-isobutyl-3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0086
N-isobutyl-3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanecarboxamide

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

SC16-0086

Molecular Formula

C17H29N5O4S (C17 H29 N5 O4 S)

Compound Name

N-isobutyl-3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanecarboxamide

IUPAC name

3-{[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]methyl}-N-(2-methylpropyl)azetidine-1-carboxamide

SMILES

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

InChI

InChI=1S/C17H29N5O4S/c1-12(2)9-18-17(23)21-10-13(11-21)8-15-19-16(20-26-15)14-4-6-22(7-5-14)27(3,24)25/h12-14H,4-11H2,1-3H3,(H,18,23)

InChI Key

QZYICFNYOJVCPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32257082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

1.657

Water Solubility, LogSw

-2.36

Polar Surface Area

90.046

Acid Dissociation Constant (pKa)

16.98

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

82.35

SC16-0086 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with SC16-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0086?
Check Price and Availability of SC16-0086, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC16-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0086
  • 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 SC16-0086 available by request