L592-0799 Screening compound: 2-[3-oxo-2-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

L592-0799 Screening compound: 2-[3-oxo-2-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
L592-0799 Screening compound: 2-[3-oxo-2-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-0799
2-[3-oxo-2-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

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

L592-0799

Molecular Formula

C23H22F3N3O3S (C23 H22 F3 N3 O3 S)

Compound Name

2-[3-oxo-2-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[3-oxo-2-(piperidine-1-carbonyl)-34-dihydro-2H-14-benzothiazin-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCC2)=O)C1=O)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H22F3N3O3S/c24-23(25,26)15-7-6-8-16(13-15)27-19(30)14-29-17-9-2-3-10-18(17)33-20(22(29)32)21(31)28-11-4-1-5-12-28/h2-3,6-10,13,20H,1,4-5,11-12,14H2,(H,27,30)/t20-/m0/s1

InChI Key

DBNFHCNWSPQGON-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15131651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.192

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.26

Polar Surface Area

55.139

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L592-0799 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L592-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-0799?
Check Price and Availability of L592-0799, 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 L592-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-0799
  • 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 L592-0799 available by request