L794-0080 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

L794-0080 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
L794-0080 Screening compound: 2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0080
2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

L794-0080

Molecular Formula

C25H34N4O3S (C25 H34 N4 O3 S)

Compound Name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidine-1-carbonyl]-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C(C(CC1)CCN1C(C1Sc(cccc2)c2NC1=O)=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C25H34N4O3S/c30-23-22(33-21-9-5-4-8-20(21)26-23)25(32)28-12-10-18(11-13-28)24(31)29-16-14-27(15-17-29)19-6-2-1-3-7-19/h4-5,8-9,18-19,22H,1-3,6-7,10-17H2,(H,26,30)/t22-/m1/s1

InChI Key

DTJHHFZTVOBPFV-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15134929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.415

Distribution Coefficient, logD

2.003

Water Solubility, LogSw

-2.75

Polar Surface Area

61.506

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

L794-0080 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L794-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0080?
Check Price and Availability of L794-0080, 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 L794-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0080
  • 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 L794-0080 available by request