SC16-0018 Screening compound: (3-methylphenyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone

SC16-0018 Screening compound: (3-methylphenyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone
SC16-0018 Screening compound: (3-methylphenyl)[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 SC16-0018
(3-methylphenyl)[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

SC16-0018

Molecular Formula

C20H26N4O4S (C20 H26 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(N2CC(Cc3nc(C(CC4)CCN4S(C)(=O)=O)no3)C2)=O)c1

InChI

InChI=1S/C20H26N4O4S/c1-14-4-3-5-17(10-14)20(25)23-12-15(13-23)11-18-21-19(22-28-18)16-6-8-24(9-7-16)29(2,26)27/h3-5,10,15-16H,6-9,11-13H2,1-2H3

InChI Key

AEKIWMDXOBVBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

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

2.139

Distribution Coefficient, logD

2.139

Water Solubility, LogSw

-2.65

Polar Surface Area

79.631

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

SC16-0018 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 SC16-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0018?
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What is the minimum amount of SC16-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0018
  • 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 SC16-0018 available by request