L592-2133 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

L592-2133 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
L592-2133 Screening compound: 2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-2133
2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-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

L592-2133

Molecular Formula

C25H30N6O3S (C25 H30 N6 O3 S)

Compound Name

2-(azepane-1-carbonyl)-4-{2-oxo-2-[4-(pyrimidin-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-(pyrimidin-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)CCN1c1ncccn1

InChI

InChI=1S/C25H30N6O3S/c32-21(28-14-16-30(17-15-28)25-26-10-7-11-27-25)18-31-19-8-3-4-9-20(19)35-22(24(31)34)23(33)29-12-5-1-2-6-13-29/h3-4,7-11,22H,1-2,5-6,12-18H2/t22-/m0/s1

InChI Key

XQGZVGXHHJDAMB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15131785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.373

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-2.58

Polar Surface Area

70.336

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

L592-2133 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 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 L592-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-2133?
Check Price and Availability of L592-2133, 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 L592-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-2133
  • 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 L592-2133 available by request