L053-0047 Screening compound: 4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

L053-0047 Screening compound: 4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
L053-0047 Screening compound: 4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L053-0047
4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-N-(4-fluorophenyl)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

L053-0047

Molecular Formula

C20H22FN5O (C20 H22 FN5 O)

Compound Name

4-(1-ethyl-1H-1,3-benzodiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

IUPAC name

4-(1-ethyl-1H-13-benzodiazol-2-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

SMILES

CCn1c(N(CC2)CCN2C(Nc(cc2)ccc2F)=O)nc2c1cccc2

InChI

InChI=1S/C20H22FN5O/c1-2-26-18-6-4-3-5-17(18)23-19(26)24-11-13-25(14-12-24)20(27)22-16-9-7-15(21)8-10-16/h3-10H,2,11-14H2,1H3,(H,22,27)

InChI Key

LYZKPESYHDUHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05254597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-3.83

Polar Surface Area

38.434

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L053-0047 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Nucleic Acid Ligands (8311 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 L053-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L053-0047?
Check Price and Availability of L053-0047, 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 L053-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L053-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L053-0047
  • 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 L053-0047 available by request