L592-0748 Screening compound: 2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}acetamide

L592-0748 Screening compound: 2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}acetamide
L592-0748 Screening compound: 2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L592-0748
2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}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

L592-0748

Molecular Formula

C27H32N4O3S (C27 H32 N4 O3 S)

Compound Name

2-[3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}acetamide

IUPAC name

2-[3-oxo-2-(pyrrolidine-1-carbonyl)-34-dihydro-2H-14-benzothiazin-4-yl]-N-{4-[(piperidin-1-yl)methyl]phenyl}acetamide

SMILES

O=C(CN1c(cccc2)c2SC(C(N2CCCC2)=O)C1=O)Nc1ccc(CN2CCCCC2)cc1

InChI

InChI=1S/C27H32N4O3S/c32-24(28-21-12-10-20(11-13-21)18-29-14-4-1-5-15-29)19-31-22-8-2-3-9-23(22)35-25(27(31)34)26(33)30-16-6-7-17-30/h2-3,8-13,25H,1,4-7,14-19H2,(H,28,32)/t25-/m0/s1

InChI Key

CBVBJYCFMCNTTQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15131646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.382

Distribution Coefficient, logD

1.800

Water Solubility, LogSw

-3.73

Polar Surface Area

59.237

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

L592-0748 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with L592-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L592-0748?
Check Price and Availability of L592-0748, 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 L592-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L592-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L592-0748
  • 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 L592-0748 available by request