SC16-0049 Screening compound: (1-methyl-1H-imidazol-4-yl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone

SC16-0049 Screening compound: (1-methyl-1H-imidazol-4-yl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone
SC16-0049 Screening compound: (1-methyl-1H-imidazol-4-yl)[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 SC16-0049
(1-methyl-1H-imidazol-4-yl)[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

SC16-0049

Molecular Formula

C17H24N6O4S (C17 H24 N6 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1cnc(C(N2CC(Cc3nc(C(CC4)CCN4S(C)(=O)=O)no3)C2)=O)c1

InChI

InChI=1S/C17H24N6O4S/c1-21-10-14(18-11-21)17(24)22-8-12(9-22)7-15-19-16(20-27-15)13-3-5-23(6-4-13)28(2,25)26/h10-13H,3-9H2,1-2H3

InChI Key

SQXJIRAGWCODBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.304

Distribution Coefficient, logD

0.304

Water Solubility, LogSw

-1.51

Polar Surface Area

92.267

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.71

SC16-0049 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SC16-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0049?
Check Price and Availability of SC16-0049, 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 SC16-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0049
  • 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 SC16-0049 available by request