E459-0389 Screening compound: 4-acetyl-N-(4-bromophenyl)-N-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E459-0389 Screening compound: 4-acetyl-N-(4-bromophenyl)-N-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E459-0389 Screening compound: 4-acetyl-N-(4-bromophenyl)-N-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E459-0389
4-acetyl-N-(4-bromophenyl)-N-methyl-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

E459-0389

Molecular Formula

C17H17BrN2O3S2 (C17 H17 BrN2 O3 S2)

Compound Name

4-acetyl-N-(4-bromophenyl)-N-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-(4-bromophenyl)-N-methyl-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC(N1c(cc(cc2)S(N(C)c(cc3)ccc3Br)(=O)=O)c2SCC1)=O

InChI

InChI=1S/C17H17BrN2O3S2/c1-12(21)20-9-10-24-17-8-7-15(11-16(17)20)25(22,23)19(2)14-5-3-13(18)4-6-14/h3-8,11H,9-10H2,1-2H3

InChI Key

MXYUIYDWDNMGSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-3.95

Polar Surface Area

49.112

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with E459-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E459-0389?
Check Price and Availability of E459-0389, 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 E459-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E459-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E459-0389
  • 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 E459-0389 available by request