E628-0927 Screening compound: ethyl 2-{4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

E628-0927 Screening compound: ethyl 2-{4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate
E628-0927 Screening compound: ethyl 2-{4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E628-0927
ethyl 2-{4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

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

E628-0927

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

ethyl 2-{4-[(3,4-dihydro-2H-1,4-benzothiazine-4-carbonyl)amino]phenyl}acetate

IUPAC name

ethyl 2-{4-[(34-dihydro-2H-14-benzothiazine-4-carbonyl)amino]phenyl}acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N1c(cccc2)c2SCC1)=O)=O

InChI

InChI=1S/C19H20N2O3S/c1-2-24-18(22)13-14-7-9-15(10-8-14)20-19(23)21-11-12-25-17-6-4-3-5-16(17)21/h3-10H,2,11-13H2,1H3,(H,20,23)

InChI Key

IVCQYDHAWSYJIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.633

Distribution Coefficient, logD

3.633

Water Solubility, LogSw

-3.85

Polar Surface Area

44.531

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E628-0927 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 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 E628-0927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E628-0927?
Check Price and Availability of E628-0927, 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 E628-0927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E628-0927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E628-0927
  • 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 E628-0927 available by request