L794-0047 Screening compound: N-(2,3-dimethylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide

L794-0047 Screening compound: N-(2,3-dimethylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide
L794-0047 Screening compound: N-(2,3-dimethylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0047
N-(2,3-dimethylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide

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

L794-0047

Molecular Formula

C23H25N3O3S (C23 H25 N3 O3 S)

Compound Name

N-(2,3-dimethylphenyl)-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide

IUPAC name

N-(23-dimethylphenyl)-1-(3-oxo-34-dihydro-2H-14-benzothiazine-2-carbonyl)piperidine-4-carboxamide

SMILES

Cc1cccc(NC(C(CC2)CCN2C(C2Sc(cccc3)c3NC2=O)=O)=O)c1C

InChI

InChI=1S/C23H25N3O3S/c1-14-6-5-8-17(15(14)2)24-21(27)16-10-12-26(13-11-16)23(29)20-22(28)25-18-7-3-4-9-19(18)30-20/h3-9,16,20H,10-13H2,1-2H3,(H,24,27)(H,25,28)/t20-/m1/s1

InChI Key

LHIQUMHUGGFUNZ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15134913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.08

Polar Surface Area

64.158

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L794-0047 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L794-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0047?
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What is the minimum amount of L794-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0047
  • 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 L794-0047 available by request