L794-0089 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

L794-0089 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
L794-0089 Screening compound: 1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0089
1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)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

L794-0089

Molecular Formula

C24H27N3O6S (C24 H27 N3 O6 S)

Compound Name

1-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carbonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide

IUPAC name

1-(3-oxo-34-dihydro-2H-14-benzothiazine-2-carbonyl)-N-(345-trimethoxyphenyl)piperidine-4-carboxamide

SMILES

COc1cc(NC(C(CC2)CCN2C(C2Sc(cccc3)c3NC2=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C24H27N3O6S/c1-31-17-12-15(13-18(32-2)20(17)33-3)25-22(28)14-8-10-27(11-9-14)24(30)21-23(29)26-16-6-4-5-7-19(16)34-21/h4-7,12-14,21H,8-11H2,1-3H3,(H,25,28)(H,26,29)/t21-/m1/s1

InChI Key

AJRCIRXRJLQGOG-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD15134934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.535

Water Solubility, LogSw

-2.49

Polar Surface Area

87.833

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

L794-0089 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L794-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0089?
Check Price and Availability of L794-0089, 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 L794-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0089
  • 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 L794-0089 available by request