E135-1192 Screening compound: ethyl 4,5-dimethyl-2-({[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)-3-thiophenecarboxylate

E135-1192 Screening compound: ethyl 4,5-dimethyl-2-({[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)-3-thiophenecarboxylate
E135-1192 Screening compound: ethyl 4,5-dimethyl-2-({[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-1192
ethyl 4,5-dimethyl-2-({[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)-3-thiophenecarboxylate

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

E135-1192

Molecular Formula

C18H19N3O5S3 (C18 H19 N3 O5 S3)

Compound Name

ethyl 4,5-dimethyl-2-({[2-methyl-1,1-dioxo-5-(2-thienyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)-3-thiophenecarboxylate

IUPAC name

ethyl 45-dimethyl-2-[2-methyl-11-dioxo-5-(thiophen-2-yl)-2H-1lambda626-thiadiazine-3-amido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(N2C)=CC(c3cccs3)=NS2(=O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C18H19N3O5S3/c1-5-26-18(23)15-10(2)11(3)28-17(15)19-16(22)13-9-12(14-7-6-8-27-14)20-29(24,25)21(13)4/h6-9H,5H2,1-4H3,(H,19,22)

InChI Key

YQXMJWXIJJVHCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

-3.467

Water Solubility, LogSw

-3.69

Polar Surface Area

89.885

Acid Dissociation Constant (pKa)

0.61

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with E135-1192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-1192?
Check Price and Availability of E135-1192, 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 E135-1192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-1192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-1192
  • 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 E135-1192 available by request