SC08-0037 Screening compound: (3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(2-quinolyl)methanone

SC08-0037 Screening compound: (3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(2-quinolyl)methanone
SC08-0037 Screening compound: (3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0037
(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(2-quinolyl)methanone

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

SC08-0037

Molecular Formula

C21H23N5O4S (C21 H23 N5 O4 S)

Compound Name

(3-{3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}-1-azetanyl)(2-quinolyl)methanone

IUPAC name

2-{3-[3-(1-methanesulfonylpiperidin-4-yl)-124-oxadiazol-5-yl]azetidine-1-carbonyl}quinoline

SMILES

CS(N(CC1)CCC1c1noc(C(C2)CN2C(c2nc3ccccc3cc2)=O)n1)(=O)=O

InChI

InChI=1S/C21H23N5O4S/c1-31(28,29)26-10-8-15(9-11-26)19-23-20(30-24-19)16-12-25(13-16)21(27)18-7-6-14-4-2-3-5-17(14)22-18/h2-7,15-16H,8-13H2,1H3

InChI Key

OUOZCPMHULBLOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32254952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.362

Distribution Coefficient, logD

2.362

Water Solubility, LogSw

-2.81

Polar Surface Area

88.296

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

SC08-0037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SC08-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0037?
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What is the minimum amount of SC08-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0037
  • 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 SC08-0037 available by request