E135-0758 Screening compound: 5-(3,4-dimethoxyphenyl)-N~3~-(2-ethylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0758 Screening compound: 5-(3,4-dimethoxyphenyl)-N~3~-(2-ethylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0758 Screening compound: 5-(3,4-dimethoxyphenyl)-N~3~-(2-ethylphenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0758
5-(3,4-dimethoxyphenyl)-N~3~-(2-ethylphenyl)-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

E135-0758

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

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

IUPAC name

5-(34-dimethoxyphenyl)-N-(2-ethylphenyl)-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CCc(cccc1)c1NC(C(N1C)=CC(c(cc2)cc(OC)c2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-5-14-8-6-7-9-16(14)22-21(25)18-13-17(23-30(26,27)24(18)2)15-10-11-19(28-3)20(12-15)29-4/h6-13H,5H2,1-4H3,(H,22,25)

InChI Key

PWCFTPDXMSXFQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.60

Polar Surface Area

82.882

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E135-0758 in Drug Discovery

Included in Screening Libraries

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 E135-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0758?
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What is the minimum amount of E135-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0758
  • 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 E135-0758 available by request