E013-3250 Screening compound: ethyl 4-[(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)amino]benzoate

E013-3250 Screening compound: ethyl 4-[(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)amino]benzoate
E013-3250 Screening compound: ethyl 4-[(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E013-3250
ethyl 4-[(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)amino]benzoate

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

E013-3250

Molecular Formula

C19H18N2O4S (C19 H18 N2 O4 S)

Compound Name

ethyl 4-[(4-methyl-1,1-dioxo-5-phenyl-1H-1lambda~6~-isothiazol-3-yl)amino]benzoate

IUPAC name

ethyl 4-[(4-methyl-11-dioxo-5-phenyl-1lambda62-thiazol-3-yl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C)=C1c2ccccc2)=NS1(=O)=O)=O

InChI

InChI=1S/C19H18N2O4S/c1-3-25-19(22)15-9-11-16(12-10-15)20-18-13(2)17(26(23,24)21-18)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,20,21)

InChI Key

BIJWRZJXCKAYGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14837892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.896

Distribution Coefficient, logD

3.887

Water Solubility, LogSw

-3.94

Polar Surface Area

71.598

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E013-3250 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E013-3250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E013-3250?
Check Price and Availability of E013-3250, 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 E013-3250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E013-3250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E013-3250
  • 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 E013-3250 available by request