SC08-0101 Screening compound: 3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-N-phenethyl-1-azetanecarboxamide

SC08-0101 Screening compound: 3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-N-phenethyl-1-azetanecarboxamide
SC08-0101 Screening compound: 3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-N-phenethyl-1-azetanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0101
3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-N-phenethyl-1-azetanecarboxamide

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

SC08-0101

Molecular Formula

C20H27N5O4S (C20 H27 N5 O4 S)

Compound Name

3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-N-phenethyl-1-azetanecarboxamide

IUPAC name

3-[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]-N-(2-phenylethyl)azetidine-1-carboxamide

SMILES

CS(N(CC1)CCC1c1noc(C(C2)CN2C(NCCc2ccccc2)=O)n1)(=O)=O

InChI

InChI=1S/C20H27N5O4S/c1-30(27,28)25-11-8-16(9-12-25)18-22-19(29-23-18)17-13-24(14-17)20(26)21-10-7-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3,(H,21,26)

InChI Key

LHESGFATIHTADN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.085

Distribution Coefficient, logD

2.085

Water Solubility, LogSw

-2.61

Polar Surface Area

89.950

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

SC08-0101 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 SC08-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0101?
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What is the minimum amount of SC08-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0101
  • 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 SC08-0101 available by request