L054-0392 Screening compound: 1-[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

L054-0392 Screening compound: 1-[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one
L054-0392 Screening compound: 1-[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L054-0392
1-[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-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

L054-0392

Molecular Formula

C27H27FN4OS (C27 H27 FN4 OS)

Compound Name

1-[4-(1-benzyl-1H-1,3-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

IUPAC name

1-[4-(1-benzyl-1H-13-benzodiazol-2-yl)piperazin-1-yl]-2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-one

SMILES

O=C(CSCc(cc1)ccc1F)N(CC1)CCN1c1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C27H27FN4OS/c28-23-12-10-22(11-13-23)19-34-20-26(33)30-14-16-31(17-15-30)27-29-24-8-4-5-9-25(24)32(27)18-21-6-2-1-3-7-21/h1-13H,14-20H2

InChI Key

QOQVFZRXMSHSLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.62

Polar Surface Area

29.089

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

L054-0392 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Proteases
  • GPCR
  • Proteases

References: we are preparing a list of scientific research reports with L054-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L054-0392?
Check Price and Availability of L054-0392, 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 L054-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L054-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L054-0392
  • 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 L054-0392 available by request