S364-0042 Screening compound: 5-methyl-2-(4-methylbenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid

S364-0042 Screening compound: 5-methyl-2-(4-methylbenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid
S364-0042 Screening compound: 5-methyl-2-(4-methylbenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S364-0042
5-methyl-2-(4-methylbenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid

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

S364-0042

Molecular Formula

C13H14N2O4S (C13 H14 N2 O4 S)

Compound Name

5-methyl-2-(4-methylbenzyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-4-carboxylic acid

IUPAC name

5-methyl-2-[(4-methylphenyl)methyl]-11-dioxo-2H-1lambda626-thiadiazine-4-carboxylic acid

SMILES

Cc1ccc(CN(C=C(C(O)=O)C(C)=N2)S2(=O)=O)cc1

InChI

InChI=1S/C13H14N2O4S/c1-9-3-5-11(6-4-9)7-15-8-12(13(16)17)10(2)14-20(15,18)19/h3-6,8H,7H2,1-2H3,(H,16,17)

InChI Key

SOPHOPRHVVJWFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.585

Distribution Coefficient, logD

-5.096

Water Solubility, LogSw

-2.05

Polar Surface Area

70.907

Acid Dissociation Constant (pKa)

1.72

Base Dissociation Constant (pKb)

-6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

S364-0042 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with S364-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S364-0042?
Check Price and Availability of S364-0042, 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 S364-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S364-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S364-0042
  • 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 S364-0042 available by request