SC08-0048 Screening compound: 5-[1-(isopropylsulfonyl)-3-azetanyl]-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

SC08-0048 Screening compound: 5-[1-(isopropylsulfonyl)-3-azetanyl]-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole
SC08-0048 Screening compound: 5-[1-(isopropylsulfonyl)-3-azetanyl]-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0048
5-[1-(isopropylsulfonyl)-3-azetanyl]-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

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

SC08-0048

Molecular Formula

C14H24N4O5S2 (C14 H24 N4 O5 S2)

Compound Name

5-[1-(isopropylsulfonyl)-3-azetanyl]-3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazole

IUPAC name

1-methanesulfonyl-4-{5-[1-(propane-2-sulfonyl)azetidin-3-yl]-124-oxadiazol-3-yl}piperidine

SMILES

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

InChI

InChI=1S/C14H24N4O5S2/c1-10(2)25(21,22)18-8-12(9-18)14-15-13(16-23-14)11-4-6-17(7-5-11)24(3,19)20/h10-12H,4-9H2,1-3H3

InChI Key

QVRRCKOEKXHKST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32255065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.078

Distribution Coefficient, logD

1.078

Water Solubility, LogSw

-1.48

Polar Surface Area

95.300

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.71

SC08-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SC08-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0048?
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What is the minimum amount of SC08-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0048
  • 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 SC08-0048 available by request