S342-0499 Screening compound: butyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

S342-0499 Screening compound: butyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate
S342-0499 Screening compound: butyl 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 S342-0499
butyl 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

S342-0499

Molecular Formula

C16H20N2O4S (C16 H20 N2 O4 S)

Compound Name

butyl 2-benzyl-5-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylate

IUPAC name

butyl 2-benzyl-5-methyl-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylate

SMILES

CCCCOC(C(C(C)=N1)=CN(Cc2ccccc2)S1(=O)=O)=O

InChI

InChI=1S/C16H20N2O4S/c1-3-4-10-22-16(19)15-12-18(23(20,21)17-13(15)2)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3

InChI Key

PTWFXBQMRSPYFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.461

Distribution Coefficient, logD

2.461

Water Solubility, LogSw

-2.62

Polar Surface Area

63.546

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

-6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S342-0499 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with S342-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S342-0499?
Check Price and Availability of S342-0499, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S342-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S342-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S342-0499
  • 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 S342-0499 available by request