L794-0177 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

L794-0177 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one
L794-0177 Screening compound: 2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L794-0177
2-{4-[4-(2-fluorophenyl)piperazine-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

L794-0177

Molecular Formula

C25H27FN4O3S (C25 H27 FN4 O3 S)

Compound Name

2-{4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl}-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-{4-[4-(2-fluorophenyl)piperazine-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)CCN1c(cccc1)c1F

InChI

InChI=1S/C25H27FN4O3S/c26-18-5-1-3-7-20(18)28-13-15-30(16-14-28)24(32)17-9-11-29(12-10-17)25(33)22-23(31)27-19-6-2-4-8-21(19)34-22/h1-8,17,22H,9-16H2,(H,27,31)/t22-/m1/s1

InChI Key

RVTRNONVURWMBL-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15134974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-2.95

Polar Surface Area

61.372

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

L794-0177 in Drug Discovery

Included in Screening Libraries

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

Antiviral Library (67538 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
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with L794-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L794-0177?
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What is the minimum amount of L794-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L794-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L794-0177
  • 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 L794-0177 available by request