E135-0257 Screening compound: 5-(4-methoxyphenyl)-2-methyl-3-(morpholinocarbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0257 Screening compound: 5-(4-methoxyphenyl)-2-methyl-3-(morpholinocarbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0257 Screening compound: 5-(4-methoxyphenyl)-2-methyl-3-(morpholinocarbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0257
5-(4-methoxyphenyl)-2-methyl-3-(morpholinocarbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

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

E135-0257

Molecular Formula

C16H19N3O5S (C16 H19 N3 O5 S)

Compound Name

5-(4-methoxyphenyl)-2-methyl-3-(morpholinocarbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

5-(4-methoxyphenyl)-2-methyl-3-(morpholine-4-carbonyl)-2H-1lambda626-thiadiazine-11-dione

SMILES

CN(C(C(N1CCOCC1)=O)=CC(c(cc1)ccc1OC)=N1)S1(=O)=O

InChI

InChI=1S/C16H19N3O5S/c1-18-15(16(20)19-7-9-24-10-8-19)11-14(17-25(18,21)22)12-3-5-13(23-2)6-4-12/h3-6,11H,7-10H2,1-2H3

InChI Key

ZDIVMPYSUBNAAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.963

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-2.11

Polar Surface Area

77.328

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E135-0257 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 E135-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0257?
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What is the minimum amount of E135-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0257
  • 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 E135-0257 available by request