E135-0122 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3-pyridyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0122 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3-pyridyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0122 Screening compound: 2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3-pyridyl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0122
2-methyl-5-(4-methylphenyl)-1,1-dioxo-N~3~-(3-pyridyl)-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

E135-0122

Molecular Formula

C17H16N4O3S (C17 H16 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(C=C(C(Nc1cnccc1)=O)N1C)=NS1(=O)=O

InChI

InChI=1S/C17H16N4O3S/c1-12-5-7-13(8-6-12)15-10-16(21(2)25(23,24)20-15)17(22)19-14-4-3-9-18-11-14/h3-11H,1-2H3,(H,19,22)

InChI Key

ARMRRJKWTDJLHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.015

Water Solubility, LogSw

-2.46

Polar Surface Area

77.836

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

E135-0122 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E135-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0122?
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What is the minimum amount of E135-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0122
  • 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 E135-0122 available by request