S342-0003 Screening compound: [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0003 Screening compound: [5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0003 Screening compound: [5-(3-chlorophenyl)-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 S342-0003
[5-(3-chlorophenyl)-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

S342-0003

Molecular Formula

C21H17ClN4O5S (C21 H17 ClN4 O5 S)

Compound Name

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

SMILES

CC(C(C(OCc1noc(-c2cccc(Cl)c2)n1)=O)=CN1Cc2ccccc2)=NS1(=O)=O

InChI

InChI=1S/C21H17ClN4O5S/c1-14-18(12-26(32(28,29)25-14)11-15-6-3-2-4-7-15)21(27)30-13-19-23-20(31-24-19)16-8-5-9-17(22)10-16/h2-10,12H,11,13H2,1H3

InChI Key

ICAWITVMPDZESU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.91

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

3.113

Distribution Coefficient, logD

3.113

Water Solubility, LogSw

-3.47

Polar Surface Area

96.024

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

S342-0003 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 S342-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0003?
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What is the minimum amount of S342-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0003
  • 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 S342-0003 available by request