SC08-0042 Screening compound: 1-{4-[(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)carbonyl]piperidino}-1-ethanone

SC08-0042 Screening compound: 1-{4-[(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)carbonyl]piperidino}-1-ethanone
SC08-0042 Screening compound: 1-{4-[(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)carbonyl]piperidino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0042
1-{4-[(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)carbonyl]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

SC08-0042

Molecular Formula

C19H29N5O5S (C19 H29 N5 O5 S)

Compound Name

1-{4-[(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)carbonyl]piperidino}-1-ethanone

IUPAC name

1-(4-{3-[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]azetidine-1-carbonyl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(C1)CC1c1nc(C(CC2)CCN2S(C)(=O)=O)no1)=O)=O

InChI

InChI=1S/C19H29N5O5S/c1-13(25)22-7-3-15(4-8-22)19(26)23-11-16(12-23)18-20-17(21-29-18)14-5-9-24(10-6-14)30(2,27)28/h14-16H,3-12H2,1-2H3

InChI Key

HIQWJJGCZLUHRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.392

Distribution Coefficient, logD

0.392

Water Solubility, LogSw

-1.33

Polar Surface Area

97.353

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.95

SC08-0042 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 SC08-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0042?
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What is the minimum amount of SC08-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0042
  • 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 SC08-0042 available by request