L592-1975 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

L592-1975 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
L592-1975 Screening compound: 2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-1975
2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]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

L592-1975

Molecular Formula

C25H33N3O3S (C25 H33 N3 O3 S)

Compound Name

2-[2-(azepane-1-carbonyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide

IUPAC name

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

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C25H33N3O3S/c29-22(26-15-14-19-10-4-3-5-11-19)18-28-20-12-6-7-13-21(20)32-23(25(28)31)24(30)27-16-8-1-2-9-17-27/h6-7,10,12-13,23H,1-5,8-9,11,14-18H2,(H,26,29)/t23-/m0/s1

InChI Key

KVCHWPZQFDNVSI-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15131725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.50

Polar Surface Area

56.826

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

L592-1975 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L592-1975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-1975?
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What is the minimum amount of L592-1975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-1975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-1975
  • 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 L592-1975 available by request