S342-0437 Screening compound: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0437 Screening compound: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0437 Screening compound: [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S342-0437
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethyl-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

S342-0437

Molecular Formula

C15H13ClN4O5S (C15 H13 ClN4 O5 S)

Compound Name

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

IUPAC name

[3-(4-chlorophenyl)-124-oxadiazol-5-yl]methyl 25-dimethyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CC(C(C(OCc1nc(-c(cc2)ccc2Cl)no1)=O)=CN1C)=NS1(=O)=O

InChI

InChI=1S/C15H13ClN4O5S/c1-9-12(7-20(2)26(22,23)19-9)15(21)24-8-13-17-14(18-25-13)10-3-5-11(16)6-4-10/h3-7H,8H2,1-2H3

InChI Key

JEWWULUVZOURNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.81

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

2.031

Water Solubility, LogSw

-2.94

Polar Surface Area

95.926

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S342-0437 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 S342-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0437?
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What is the minimum amount of S342-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0437
  • 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 S342-0437 available by request