L795-0342 Screening compound: N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-3-carboxamide

L795-0342 Screening compound: N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-3-carboxamide
L795-0342 Screening compound: N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L795-0342
N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)piperidine-3-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

L795-0342

Molecular Formula

C22H22BrN3O3S (C22 H22 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CCC1)CN1C(C1Sc(cccc2)c2NC1=O)=O)NCc1cccc(Br)c1

InChI

InChI=1S/C22H22BrN3O3S/c23-16-7-3-5-14(11-16)12-24-20(27)15-6-4-10-26(13-15)22(29)19-21(28)25-17-8-1-2-9-18(17)30-19/h1-3,5,7-9,11,15,19H,4,6,10,12-13H2,(H,24,27)(H,25,28)

InChI Key

KEEGERGZHWKFCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27475213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.669

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.10

Polar Surface Area

66.111

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.80

L795-0342 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L795-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L795-0342?
Check Price and Availability of L795-0342, 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 L795-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L795-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L795-0342
  • 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 L795-0342 available by request