L458-0013 Screening compound: 3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole

L458-0013 Screening compound: 3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole
L458-0013 Screening compound: 3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L458-0013
3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole

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

L458-0013

Molecular Formula

C18H13FN4OS (C18 H13 FN4 OS)

Compound Name

3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole

IUPAC name

3-(3-fluorophenyl)-5-{[(1-phenyl-1H-imidazol-2-yl)sulfanyl]methyl}-124-oxadiazole

SMILES

Fc1cccc(-c2noc(CSc3nccn3-c3ccccc3)n2)c1

InChI

InChI=1S/C18H13FN4OS/c19-14-6-4-5-13(11-14)17-21-16(24-22-17)12-25-18-20-9-10-23(18)15-7-2-1-3-8-15/h1-11H,12H2

InChI Key

YWUQBGLKYLYDAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.56

Polar Surface Area

43.860

Acid Dissociation Constant (pKa)

26.66

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

L458-0013 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with L458-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L458-0013?
Check Price and Availability of L458-0013, 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 L458-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L458-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L458-0013
  • 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 L458-0013 available by request