S342-0810 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0810 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0810 Screening compound: (5-methyl-2-phenyl-1,3-oxazol-4-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 S342-0810
(5-methyl-2-phenyl-1,3-oxazol-4-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

S342-0810

Molecular Formula

C17H17N3O5S (C17 H17 N3 O5 S)

Compound Name

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,5-dimethyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

(5-methyl-2-phenyl-13-oxazol-4-yl)methyl 25-dimethyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

Cc1c(COC(C(C(C)=N2)=CN(C)S2(=O)=O)=O)nc(-c2ccccc2)o1

InChI

InChI=1S/C17H17N3O5S/c1-11-14(9-20(3)26(22,23)19-11)17(21)24-10-15-12(2)25-16(18-15)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3

InChI Key

ZECJEVXBUQOYMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28998567

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-2.16

Polar Surface Area

82.705

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

S342-0810 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S342-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0810?
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What is the minimum amount of S342-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0810
  • 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 S342-0810 available by request