SC16-0244 Screening compound: 1-[4-(5-{[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

SC16-0244 Screening compound: 1-[4-(5-{[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone
SC16-0244 Screening compound: 1-[4-(5-{[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0244
1-[4-(5-{[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

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

SC16-0244

Molecular Formula

C22H28N4O4S (C22 H28 N4 O4 S)

Compound Name

1-[4-(5-{[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-azetanyl]methyl}-1,2,4-oxadiazol-3-yl)piperidino]-1-ethanone

IUPAC name

1-[4-(5-{[1-(23-dihydro-1H-indene-5-sulfonyl)azetidin-3-yl]methyl}-124-oxadiazol-3-yl)piperidin-1-yl]ethan-1-one

SMILES

CC(N(CC1)CCC1c1noc(CC(C2)CN2S(c2cc(CCC3)c3cc2)(=O)=O)n1)=O

InChI

InChI=1S/C22H28N4O4S/c1-15(27)25-9-7-18(8-10-25)22-23-21(30-24-22)11-16-13-26(14-16)31(28,29)20-6-5-17-3-2-4-19(17)12-20/h5-6,12,16,18H,2-4,7-11,13-14H2,1H3

InChI Key

JEBOCEPHVUSSFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32256007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

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

3.240

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.45

Polar Surface Area

80.893

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

SC16-0244 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC16-0244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0244?
Check Price and Availability of SC16-0244, 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 SC16-0244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0244
  • 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 SC16-0244 available by request