S342-0416 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxybenzyl)-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0416 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxybenzyl)-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0416 Screening compound: (3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxybenzyl)-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-0416
(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methoxybenzyl)-5-methyl-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

S342-0416

Molecular Formula

C22H26N4O6S (C22 H26 N4 O6 S)

Compound Name

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

IUPAC name

(3-cyclohexyl-124-oxadiazol-5-yl)methyl 2-[(4-methoxyphenyl)methyl]-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CC(C(C(OCc1nc(C2CCCCC2)no1)=O)=CN1Cc(cc2)ccc2OC)=NS1(=O)=O

InChI

InChI=1S/C22H26N4O6S/c1-15-19(13-26(33(28,29)25-15)12-16-8-10-18(30-2)11-9-16)22(27)31-14-20-23-21(24-32-20)17-6-4-3-5-7-17/h8-11,13,17H,3-7,12,14H2,1-2H3

InChI Key

UBXSAJOAMPCPQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.050

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.16

Polar Surface Area

102.435

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

S342-0416 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Nervous system
  • Eye
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S342-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0416?
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What is the minimum amount of S342-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0416
  • 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 S342-0416 available by request