E013-0273 Screening compound: 3-({3-[4-(2,5-dimethylphenyl)piperazino]propyl}amino)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~-isothiazole-1,1-dione

E013-0273 Screening compound: 3-({3-[4-(2,5-dimethylphenyl)piperazino]propyl}amino)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~-isothiazole-1,1-dione
E013-0273 Screening compound: 3-({3-[4-(2,5-dimethylphenyl)piperazino]propyl}amino)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~-isothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-0273
3-({3-[4-(2,5-dimethylphenyl)piperazino]propyl}amino)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~-isothiazole-1,1-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

E013-0273

Molecular Formula

C26H34N4O2S (C26 H34 N4 O2 S)

Compound Name

3-({3-[4-(2,5-dimethylphenyl)piperazino]propyl}amino)-4-methyl-5-(4-methylphenyl)-1H-1lambda~6~-isothiazole-1,1-dione

IUPAC name

3-({3-[4-(25-dimethylphenyl)piperazin-1-yl]propyl}amino)-4-methyl-5-(4-methylphenyl)-1lambda62-thiazole-11-dione

SMILES

CC(C(NCCCN(CC1)CCN1c1c(C)ccc(C)c1)=N1)=C(c2ccc(C)cc2)S1(=O)=O

InChI

InChI=1S/C26H34N4O2S/c1-19-7-10-23(11-8-19)25-22(4)26(28-33(25,31)32)27-12-5-13-29-14-16-30(17-15-29)24-18-20(2)6-9-21(24)3/h6-11,18H,5,12-17H2,1-4H3,(H,27,28)

InChI Key

HTNJYCGCCVBRDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-4.23

Polar Surface Area

58.950

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

E013-0273 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E013-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-0273?
Check Price and Availability of E013-0273, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E013-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-0273
  • 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 E013-0273 available by request