E135-0276 Screening compound: 3-[(4-ethylpiperazino)carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

E135-0276 Screening compound: 3-[(4-ethylpiperazino)carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
E135-0276 Screening compound: 3-[(4-ethylpiperazino)carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0276
3-[(4-ethylpiperazino)carbonyl]-5-(4-methoxyphenyl)-2-methyl-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

E135-0276

Molecular Formula

C18H24N4O4S (C18 H24 N4 O4 S)

Compound Name

3-[(4-ethylpiperazino)carbonyl]-5-(4-methoxyphenyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione

IUPAC name

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

SMILES

CCN(CC1)CCN1C(C(N1C)=CC(c(cc2)ccc2OC)=NS1(=O)=O)=O

InChI

InChI=1S/C18H24N4O4S/c1-4-21-9-11-22(12-10-21)18(23)17-13-16(19-27(24,25)20(17)2)14-5-7-15(26-3)8-6-14/h5-8,13H,4,9-12H2,1-3H3

InChI Key

STUNYKPONRMWHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.285

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-2.20

Polar Surface Area

72.956

Acid Dissociation Constant (pKa)

29.03

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

E135-0276 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 E135-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0276?
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What is the minimum amount of E135-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0276
  • 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 E135-0276 available by request