E135-0405 Screening compound: 5-(2-methoxyphenyl)-2-methyl-N~3~-(5-methyl-3-isoxazolyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0405 Screening compound: 5-(2-methoxyphenyl)-2-methyl-N~3~-(5-methyl-3-isoxazolyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0405 Screening compound: 5-(2-methoxyphenyl)-2-methyl-N~3~-(5-methyl-3-isoxazolyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0405
5-(2-methoxyphenyl)-2-methyl-N~3~-(5-methyl-3-isoxazolyl)-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

E135-0405

Molecular Formula

C16H16N4O5S (C16 H16 N4 O5 S)

Compound Name

5-(2-methoxyphenyl)-2-methyl-N~3~-(5-methyl-3-isoxazolyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(2-methoxyphenyl)-2-methyl-N-(5-methyl-12-oxazol-3-yl)-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

Cc1cc(NC(C(N2C)=CC(c(cccc3)c3OC)=NS2(=O)=O)=O)no1

InChI

InChI=1S/C16H16N4O5S/c1-10-8-15(18-25-10)17-16(21)13-9-12(19-26(22,23)20(13)2)11-6-4-5-7-14(11)24-3/h4-9H,1-3H3,(H,17,18,21)

InChI Key

CVQBCRPFGSOOPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

-1.213

Water Solubility, LogSw

-3.21

Polar Surface Area

97.744

Acid Dissociation Constant (pKa)

4.08

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E135-0405 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E135-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0405?
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What is the minimum amount of E135-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0405
  • 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 E135-0405 available by request