SC08-0106 Screening compound: 4-{5-[1-(4-isopropoxybenzyl)-3-azetanyl]-1,2,4-oxadiazol-3-yl}piperidino methyl sulfone

SC08-0106 Screening compound: 4-{5-[1-(4-isopropoxybenzyl)-3-azetanyl]-1,2,4-oxadiazol-3-yl}piperidino methyl sulfone
SC08-0106 Screening compound: 4-{5-[1-(4-isopropoxybenzyl)-3-azetanyl]-1,2,4-oxadiazol-3-yl}piperidino methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0106
4-{5-[1-(4-isopropoxybenzyl)-3-azetanyl]-1,2,4-oxadiazol-3-yl}piperidino methyl sulfone

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

SC08-0106

Molecular Formula

C21H30N4O4S (C21 H30 N4 O4 S)

Compound Name

4-{5-[1-(4-isopropoxybenzyl)-3-azetanyl]-1,2,4-oxadiazol-3-yl}piperidino methyl sulfone

IUPAC name

1-methanesulfonyl-4-[5-(1-{[4-(propan-2-yloxy)phenyl]methyl}azetidin-3-yl)-124-oxadiazol-3-yl]piperidine

SMILES

CC(C)Oc1ccc(CN(C2)CC2c2nc(C(CC3)CCN3S(C)(=O)=O)no2)cc1

InChI

InChI=1S/C21H30N4O4S/c1-15(2)28-19-6-4-16(5-7-19)12-24-13-18(14-24)21-22-20(23-29-21)17-8-10-25(11-9-17)30(3,26)27/h4-7,15,17-18H,8-14H2,1-3H3

InChI Key

NHDITHIZAMGDGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

0.880

Water Solubility, LogSw

-3.10

Polar Surface Area

73.852

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SC08-0106 in Drug Discovery

Included in Screening Libraries

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 SC08-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0106?
Check Price and Availability of SC08-0106, 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 SC08-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0106
  • 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 SC08-0106 available by request