L592-1998 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-chlorophenyl)methyl]acetamide

L592-1998 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-chlorophenyl)methyl]acetamide
L592-1998 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-1998
2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[(4-chlorophenyl)methyl]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

L592-1998

Molecular Formula

C24H26ClN3O3S (C24 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C24H26ClN3O3S/c25-18-11-9-17(10-12-18)15-26-21(29)16-28-19-7-3-4-8-20(19)32-22(24(28)31)23(30)27-13-5-1-2-6-14-27/h3-4,7-12,22H,1-2,5-6,13-16H2,(H,26,29)/t22-/m1/s1

InChI Key

BVFZXCZMLMXNNQ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15131738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.01

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

3.817

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.37

Polar Surface Area

56.792

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

L592-1998 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 L592-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-1998?
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What is the minimum amount of L592-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-1998
  • 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 L592-1998 available by request