F053-0545 Screening compound: 4-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

F053-0545 Screening compound: 4-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
F053-0545 Screening compound: 4-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F053-0545
4-acetyl-N-butyl-N-ethyl-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

F053-0545

Molecular Formula

C16H24N2O3S2 (C16 H24 N2 O3 S2)

Compound Name

4-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-butyl-N-ethyl-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CCCCN(CC)S(c(cc1)cc2c1SCCN2C(C)=O)(=O)=O

InChI

InChI=1S/C16H24N2O3S2/c1-4-6-9-17(5-2)23(20,21)14-7-8-16-15(12-14)18(13(3)19)10-11-22-16/h7-8,12H,4-6,9-11H2,1-3H3

InChI Key

BQIXZQSIDRPJRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14938412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.39

Polar Surface Area

47.641

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

F053-0545 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F053-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F053-0545?
Check Price and Availability of F053-0545, 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 F053-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F053-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F053-0545
  • 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 F053-0545 available by request