E135-1109 Screening compound: 2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-1109 Screening compound: 2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-1109 Screening compound: 2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1109
2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-5-(2-thienyl)-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

E135-1109

Molecular Formula

C16H15N3O3S3 (C16 H15 N3 O3 S3)

Compound Name

2-methyl-N~3~-[2-(methylsulfanyl)phenyl]-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

2-methyl-N-[2-(methylsulfanyl)phenyl]-11-dioxo-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(Nc(cccc1)c1SC)=O)=CC(c1cccs1)=N1)S1(=O)=O

InChI

InChI=1S/C16H15N3O3S3/c1-19-13(16(20)17-11-6-3-4-7-14(11)23-2)10-12(18-25(19,21)22)15-8-5-9-24-15/h3-10H,1-2H3,(H,17,20)

InChI Key

XTUKGMDCHUPUIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.775

Water Solubility, LogSw

-3.64

Polar Surface Area

68.639

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E135-1109 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E135-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1109?
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What is the minimum amount of E135-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1109
  • 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 E135-1109 available by request