L794-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide

L794-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide
L794-0136 Screening compound: N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0136
N-[(3-methoxyphenyl)methyl]-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

L794-0136

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

N-[(3-methoxyphenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-4-carboxamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-1-(3-oxo-34-dihydro-2H-14-benzothiazine-2-carbonyl)piperidine-4-carboxamide

SMILES

COc1cccc(CNC(C(CC2)CCN2C(C2Sc(cccc3)c3NC2=O)=O)=O)c1

InChI

InChI=1S/C23H25N3O4S/c1-30-17-6-4-5-15(13-17)14-24-21(27)16-9-11-26(12-10-16)23(29)20-22(28)25-18-7-2-3-8-19(18)31-20/h2-8,13,16,20H,9-12,14H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1

InChI Key

YISUZFZWNCPYNK-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD15134952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.942

Distribution Coefficient, logD

1.942

Water Solubility, LogSw

-2.63

Polar Surface Area

73.721

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L794-0136 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L794-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0136?
Check Price and Availability of L794-0136, 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 L794-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0136
  • 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 L794-0136 available by request