E459-0339 Screening compound: 4-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E459-0339 Screening compound: 4-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E459-0339 Screening compound: 4-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E459-0339
4-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E459-0339

Molecular Formula

C17H15F3N2O4S2 (C17 H15 F3 N2 O4 S2)

Compound Name

4-acetyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-[4-(trifluoromethoxy)phenyl]-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC(N1c(cc(cc2)S(Nc(cc3)ccc3OC(F)(F)F)(=O)=O)c2SCC1)=O

InChI

InChI=1S/C17H15F3N2O4S2/c1-11(23)22-8-9-27-16-7-6-14(10-15(16)22)28(24,25)21-12-2-4-13(5-3-12)26-17(18,19)20/h2-7,10,21H,8-9H2,1H3

InChI Key

AMMKQHHOQXLXLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.44

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

3.856

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-4.10

Polar Surface Area

62.877

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with E459-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E459-0339?
Check Price and Availability of E459-0339, 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 E459-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E459-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E459-0339
  • 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 E459-0339 available by request