E135-1146 Screening compound: 2-methyl-1,1-dioxo-5-(2-thienyl)-N~3~-(2-thienylmethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-1146 Screening compound: 2-methyl-1,1-dioxo-5-(2-thienyl)-N~3~-(2-thienylmethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-1146 Screening compound: 2-methyl-1,1-dioxo-5-(2-thienyl)-N~3~-(2-thienylmethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1146
2-methyl-1,1-dioxo-5-(2-thienyl)-N~3~-(2-thienylmethyl)-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

E135-1146

Molecular Formula

C14H13N3O3S3 (C14 H13 N3 O3 S3)

Compound Name

2-methyl-1,1-dioxo-5-(2-thienyl)-N~3~-(2-thienylmethyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

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

SMILES

CN(C(C(NCc1cccs1)=O)=CC(c1cccs1)=N1)S1(=O)=O

InChI

InChI=1S/C14H13N3O3S3/c1-17-12(14(18)15-9-10-4-2-6-21-10)8-11(16-23(17,19)20)13-5-3-7-22-13/h2-8H,9H2,1H3,(H,15,18)

InChI Key

TYASDJMIZRWZQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.78

Polar Surface Area

71.677

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with E135-1146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1146?
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What is the minimum amount of E135-1146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1146
  • 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 E135-1146 available by request