E135-0392 Screening compound: methyl 2-({[5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)benzoate

E135-0392 Screening compound: methyl 2-({[5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)benzoate
E135-0392 Screening compound: methyl 2-({[5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0392
methyl 2-({[5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)benzoate

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

E135-0392

Molecular Formula

C20H19N3O6S (C20 H19 N3 O6 S)

Compound Name

methyl 2-({[5-(2-methoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazin-3-yl]carbonyl}amino)benzoate

IUPAC name

methyl 2-[5-(2-methoxyphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-amido]benzoate

SMILES

CN(C(C(Nc(cccc1)c1C(OC)=O)=O)=CC(c(cccc1)c1OC)=N1)S1(=O)=O

InChI

InChI=1S/C20H19N3O6S/c1-23-17(19(24)21-15-10-6-4-9-14(15)20(25)29-3)12-16(22-30(23,26)27)13-8-5-7-11-18(13)28-2/h4-12H,1-3H3,(H,21,24)

InChI Key

LGQFWXRMKFDPPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.492

Distribution Coefficient, logD

-0.696

Water Solubility, LogSw

-3.09

Polar Surface Area

96.425

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E135-0392 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E135-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0392?
Check Price and Availability of E135-0392, 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 E135-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0392
  • 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 E135-0392 available by request