S342-0455 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0455 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0455 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-0455
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

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

S342-0455

Molecular Formula

C15H20N4O5S (C15 H20 N4 O5 S)

Compound Name

(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

(3-cyclohexyl-124-oxadiazol-5-yl)methyl 25-dimethyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CC(C(C(OCc1nc(C2CCCCC2)no1)=O)=CN1C)=NS1(=O)=O

InChI

InChI=1S/C15H20N4O5S/c1-10-12(8-19(2)25(21,22)18-10)15(20)23-9-13-16-14(17-24-13)11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3

InChI Key

SHBTZBKABWACSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

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

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-1.90

Polar Surface Area

96.118

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S342-0455 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S342-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0455?
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What is the minimum amount of S342-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0455
  • 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 S342-0455 available by request