E135-0124 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0124 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0124 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0124
2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3,4,5-trimethoxyphenyl)-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

E135-0124

Molecular Formula

C21H23N3O6S (C21 H23 N3 O6 S)

Compound Name

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

IUPAC name

2-methyl-5-(4-methylphenyl)-11-dioxo-N-(345-trimethoxyphenyl)-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

Cc(cc1)ccc1C(C=C(C(Nc(cc1OC)cc(OC)c1OC)=O)N1C)=NS1(=O)=O

InChI

InChI=1S/C21H23N3O6S/c1-13-6-8-14(9-7-13)16-12-17(24(2)31(26,27)23-16)21(25)22-15-10-18(28-3)20(30-5)19(11-15)29-4/h6-12H,1-5H3,(H,22,25)

InChI Key

ZNQRYRHTUSOZGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

1.073

Water Solubility, LogSw

-3.33

Polar Surface Area

91.296

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E135-0124 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E135-0124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0124?
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What is the minimum amount of E135-0124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0124
  • 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 E135-0124 available by request