L053-0260 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

L053-0260 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide
L053-0260 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0260
4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-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

L053-0260

Molecular Formula

C26H27N5OS (C26 H27 N5 OS)

Compound Name

4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-(1-benzyl-1H-13-benzodiazol-2-yl)-N-[3-(methylsulfanyl)phenyl]piperazine-1-carboxamide

SMILES

CSc1cc(NC(N(CC2)CCN2c2nc(cccc3)c3n2Cc2ccccc2)=O)ccc1

InChI

InChI=1S/C26H27N5OS/c1-33-22-11-7-10-21(18-22)27-26(32)30-16-14-29(15-17-30)25-28-23-12-5-6-13-24(23)31(25)19-20-8-3-2-4-9-20/h2-13,18H,14-17,19H2,1H3,(H,27,32)

InChI Key

JSHFDCCZOHFPQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.486

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.41

Polar Surface Area

38.437

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

L053-0260 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleic Acid Ligands (8311 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with L053-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0260?
Check Price and Availability of L053-0260, 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 L053-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0260
  • 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 L053-0260 available by request