E135-0848 Screening compound: N~3~-(2,4-difluorophenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0848 Screening compound: N~3~-(2,4-difluorophenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0848 Screening compound: N~3~-(2,4-difluorophenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0848
N~3~-(2,4-difluorophenyl)-5-(2,5-dimethoxyphenyl)-2-methyl-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

E135-0848

Molecular Formula

C19H17F2N3O5S (C19 H17 F2 N3 O5 S)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-5-(25-dimethoxyphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(Nc(ccc(F)c1)c1F)=O)=CC(c(cc(cc1)OC)c1OC)=N1)S1(=O)=O

InChI

InChI=1S/C19H17F2N3O5S/c1-24-17(19(25)22-15-6-4-11(20)8-14(15)21)10-16(23-30(24,26)27)13-9-12(28-2)5-7-18(13)29-3/h4-10H,1-3H3,(H,22,25)

InChI Key

YPAXDUHOSNTSFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

-0.147

Water Solubility, LogSw

-3.74

Polar Surface Area

82.795

Acid Dissociation Constant (pKa)

4.44

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E135-0848 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E135-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0848?
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What is the minimum amount of E135-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0848
  • 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 E135-0848 available by request