E135-0111 Screening compound: N~3~-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0111 Screening compound: N~3~-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0111 Screening compound: N~3~-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0111
N~3~-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

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

E135-0111

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

N~3~-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

N-(4-acetylphenyl)-2-methyl-5-(4-methylphenyl)-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CC(c(cc1)ccc1NC(C(N1C)=CC(c2ccc(C)cc2)=NS1(=O)=O)=O)=O

InChI

InChI=1S/C20H19N3O4S/c1-13-4-6-16(7-5-13)18-12-19(23(3)28(26,27)22-18)20(25)21-17-10-8-15(9-11-17)14(2)24/h4-12H,1-3H3,(H,21,25)

InChI Key

BDNWNAWYNQPKAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-3.52

Polar Surface Area

82.145

Acid Dissociation Constant (pKa)

6.03

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E135-0111 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E135-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0111?
Check Price and Availability of E135-0111, 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 E135-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0111
  • 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 E135-0111 available by request