S342-0091 Screening compound: [5-(2-methylphenyl)-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

S342-0091 Screening compound: [5-(2-methylphenyl)-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
S342-0091 Screening compound: [5-(2-methylphenyl)-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 S342-0091
[5-(2-methylphenyl)-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

S342-0091

Molecular Formula

C23H22N4O6S (C23 H22 N4 O6 S)

Compound Name

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

SMILES

Cc(cccc1)c1-c1nc(COC(C(C(C)=N2)=CN(Cc(cc3)ccc3OC)S2(=O)=O)=O)no1

InChI

InChI=1S/C23H22N4O6S/c1-15-6-4-5-7-19(15)22-24-21(25-33-22)14-32-23(28)20-13-27(34(29,30)26-16(20)2)12-17-8-10-18(31-3)11-9-17/h4-11,13H,12,14H2,1-3H3

InChI Key

ISGVXXABCYSUJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.52

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

2.691

Distribution Coefficient, logD

2.691

Water Solubility, LogSw

-3.18

Polar Surface Area

103.568

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S342-0091 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 S342-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0091?
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What is the minimum amount of S342-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0091
  • 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 S342-0091 available by request