L592-2045 Screening compound: 2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

L592-2045 Screening compound: 2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
L592-2045 Screening compound: 2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-2045
2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-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

L592-2045

Molecular Formula

C27H38N4O3S (C27 H38 N4 O3 S)

Compound Name

2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-(azepane-1-carbonyl)-4-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCCCC2)=O)C1=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C27H38N4O3S/c32-24(29-18-16-28(17-19-29)21-10-4-3-5-11-21)20-31-22-12-6-7-13-23(22)35-25(27(31)34)26(33)30-14-8-1-2-9-15-30/h6-7,12-13,21,25H,1-5,8-11,14-20H2/t25-/m0/s1

InChI Key

YWYKHWUPTZLPOD-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15131756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.69

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.068

Water Solubility, LogSw

-3.43

Polar Surface Area

51.806

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

L592-2045 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L592-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-2045?
Check Price and Availability of L592-2045, 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 L592-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-2045
  • 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 L592-2045 available by request