SC16-0095 Screening compound: (3,5-dimethyl-4-isoxazolyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone

SC16-0095 Screening compound: (3,5-dimethyl-4-isoxazolyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone
SC16-0095 Screening compound: (3,5-dimethyl-4-isoxazolyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC16-0095
(3,5-dimethyl-4-isoxazolyl)[3-({3-[1-(methylsulfonyl)-4-piperidyl]-1,2,4-oxadiazol-5-yl}methyl)-1-azetanyl]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

SC16-0095

Molecular Formula

C18H25N5O5S (C18 H25 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1C(N1CC(Cc2nc(C(CC3)CCN3S(C)(=O)=O)no2)C1)=O

InChI

InChI=1S/C18H25N5O5S/c1-11-16(12(2)27-20-11)18(24)22-9-13(10-22)8-15-19-17(21-28-15)14-4-6-23(7-5-14)29(3,25)26/h13-14H,4-10H2,1-3H3

InChI Key

WXLLNEBRRAJXRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32257201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.001

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-1.68

Polar Surface Area

101.669

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with SC16-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC16-0095?
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What is the minimum amount of SC16-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC16-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC16-0095
  • 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 SC16-0095 available by request