L592-2004 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cycloheptylacetamide

L592-2004 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cycloheptylacetamide
L592-2004 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-2004
2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cycloheptylacetamide

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

L592-2004

Molecular Formula

C24H33N3O3S (C24 H33 N3 O3 S)

Compound Name

2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-cycloheptylacetamide

IUPAC name

2-[2-(azepane-1-carbonyl)-3-oxo-34-dihydro-2H-14-benzothiazin-4-yl]-N-cycloheptylacetamide

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)NC1CCCCCC1

InChI

InChI=1S/C24H33N3O3S/c28-21(25-18-11-5-1-2-6-12-18)17-27-19-13-7-8-14-20(19)31-22(24(27)30)23(29)26-15-9-3-4-10-16-26/h7-8,13-14,18,22H,1-6,9-12,15-17H2,(H,25,28)/t22-/m0/s1

InChI Key

JQLGUHGIBQLTES-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15131740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-3.96

Polar Surface Area

56.848

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

L592-2004 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L592-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-2004?
Check Price and Availability of L592-2004, 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 L592-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-2004
  • 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 L592-2004 available by request