L794-0113 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide

L794-0113 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide
L794-0113 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-[(oxolan-2-yl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0113
1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-[(oxolan-2-yl)methyl]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

L794-0113

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1C(C1Sc(cccc2)c2NC1=O)=O)NCC1OCCC1

InChI

InChI=1S/C20H25N3O4S/c24-18(21-12-14-4-3-11-27-14)13-7-9-23(10-8-13)20(26)17-19(25)22-15-5-1-2-6-16(15)28-17/h1-2,5-6,13-14,17H,3-4,7-12H2,(H,21,24)(H,22,25)

InChI Key

CLMVTHLLRDTDLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15134943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.721

Distribution Coefficient, logD

0.721

Water Solubility, LogSw

-2.07

Polar Surface Area

74.832

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

L794-0113 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L794-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0113?
Check Price and Availability of L794-0113, 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 L794-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0113
  • 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 L794-0113 available by request