S342-0103 Screening compound: [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-methoxybenzyl)-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0103 Screening compound: [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-methoxybenzyl)-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0103 Screening compound: [5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-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 S342-0103
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-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

S342-0103

Molecular Formula

C23H22N4O7S (C23 H22 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(C(OCc1noc(-c(cc2)ccc2OC)n1)=O)=CN1Cc(cc2)ccc2OC)=NS1(=O)=O

InChI

InChI=1S/C23H22N4O7S/c1-15-20(13-27(35(29,30)26-15)12-16-4-8-18(31-2)9-5-16)23(28)33-14-21-24-22(34-25-21)17-6-10-19(32-3)11-7-17/h4-11,13H,12,14H2,1-3H3

InChI Key

LHCNCOGBMXCUOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998460

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.495

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-2.68

Polar Surface Area

111.112

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S342-0103 in Drug Discovery

Included in Screening Libraries

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

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with S342-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0103?
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What is the minimum amount of S342-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0103
  • 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 S342-0103 available by request