L592-2096 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

L592-2096 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
L592-2096 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-2096
2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

L592-2096

Molecular Formula

C26H31N5O3S (C26 H31 N5 O3 S)

Compound Name

2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C26H31N5O3S/c32-23(29-17-15-28(16-18-29)22-11-5-6-12-27-22)19-31-20-9-3-4-10-21(20)35-24(26(31)34)25(33)30-13-7-1-2-8-14-30/h3-6,9-12,24H,1-2,7-8,13-19H2/t24-/m0/s1

InChI Key

SHDDJTUAEHZXQT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15131767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.22

Polar Surface Area

60.485

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

L592-2096 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L592-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-2096?
Check Price and Availability of L592-2096, 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 L592-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-2096
  • 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 L592-2096 available by request