S342-0095 Screening compound: [5-(3-fluorophenyl)-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

S342-0095 Screening compound: [5-(3-fluorophenyl)-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
S342-0095 Screening compound: [5-(3-fluorophenyl)-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 S342-0095
[5-(3-fluorophenyl)-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

S342-0095

Molecular Formula

C22H19FN4O6S (C22 H19 FN4 O6 S)

Compound Name

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

SMILES

CC(C(C(OCc1noc(-c2cc(F)ccc2)n1)=O)=CN1Cc(cc2)ccc2OC)=NS1(=O)=O

InChI

InChI=1S/C22H19FN4O6S/c1-14-19(12-27(34(29,30)26-14)11-15-6-8-18(31-2)9-7-15)22(28)32-13-20-24-21(33-25-20)16-4-3-5-17(23)10-16/h3-10,12H,11,13H2,1-2H3

InChI Key

ZYHIHBXQESLSID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.48

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

2.555

Distribution Coefficient, logD

2.555

Water Solubility, LogSw

-2.88

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

18.20

S342-0095 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 S342-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0095?
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What is the minimum amount of S342-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0095
  • 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 S342-0095 available by request