L794-0131 Screening compound: 2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

L794-0131 Screening compound: 2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
L794-0131 Screening compound: 2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0131
2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-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

L794-0131

Molecular Formula

C24H27N5O3S (C24 H27 N5 O3 S)

Compound Name

2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]piperidine-1-carbonyl}-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(C(CC1)CCN1C(C1Sc(cccc2)c2NC1=O)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C24H27N5O3S/c30-22-21(33-19-6-2-1-5-18(19)26-22)24(32)28-11-8-17(9-12-28)23(31)29-15-13-27(14-16-29)20-7-3-4-10-25-20/h1-7,10,17,21H,8-9,11-16H2,(H,26,30)/t21-/m1/s1

InChI Key

JBWGQKORHINXHA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15134949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.061

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-2.52

Polar Surface Area

70.184

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

L794-0131 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)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L794-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0131?
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What is the minimum amount of L794-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0131
  • 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 L794-0131 available by request