SC08-0109 Screening compound: 4-(5-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)piperidino methyl sulfone

SC08-0109 Screening compound: 4-(5-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)piperidino methyl sulfone
SC08-0109 Screening compound: 4-(5-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-azetanyl}-1,2,4-oxadiazol-3-yl)piperidino methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC08-0109
4-(5-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-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

SC08-0109

Molecular Formula

C17H25N5O4S (C17 H25 N5 O4 S)

Compound Name

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

IUPAC name

4-(5-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]azetidin-3-yl}-124-oxadiazol-3-yl)-1-methanesulfonylpiperidine

SMILES

Cc1noc(C)c1CN(C1)CC1c1nc(C(CC2)CCN2S(C)(=O)=O)no1

InChI

InChI=1S/C17H25N5O4S/c1-11-15(12(2)25-19-11)10-21-8-14(9-21)17-18-16(20-26-17)13-4-6-22(7-5-13)27(3,23)24/h13-14H,4-10H2,1-3H3

InChI Key

JQNQSYDDKPVTLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32253900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

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

1.321

Distribution Coefficient, logD

-2.489

Water Solubility, LogSw

-1.60

Polar Surface Area

89.088

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

11.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

SC08-0109 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 SC08-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC08-0109?
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What is the minimum amount of SC08-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC08-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC08-0109
  • 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 SC08-0109 available by request