S342-0040 Screening compound: [5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0040 Screening compound: [5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0040 Screening compound: [5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-0040
[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-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

S342-0040

Molecular Formula

C23H22N4O5S (C23 H22 N4 O5 S)

Compound Name

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

IUPAC name

[5-(34-dimethylphenyl)-124-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

Cc(cc1)c(C)cc1-c1nc(COC(C(C(C)=N2)=CN(Cc3ccccc3)S2(=O)=O)=O)no1

InChI

InChI=1S/C23H22N4O5S/c1-15-9-10-19(11-16(15)2)22-24-21(25-32-22)14-31-23(28)20-13-27(33(29,30)26-17(20)3)12-18-7-5-4-6-8-18/h4-11,13H,12,14H2,1-3H3

InChI Key

YPDQEYUUINZUFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.72

Polar Surface Area

96.024

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S342-0040 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 S342-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0040?
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What is the minimum amount of S342-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0040
  • 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 S342-0040 available by request