L398-0013 Screening compound: 3-phenyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

L398-0013 Screening compound: 3-phenyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide
L398-0013 Screening compound: 3-phenyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0013
3-phenyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

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

L398-0013

Molecular Formula

C24H21N3O2S (C24 H21 N3 O2 S)

Compound Name

3-phenyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

IUPAC name

3-phenyl-N-(4-{[(5-phenyl-134-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

SMILES

O=C(CCc1ccccc1)Nc(cc1)ccc1SCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C24H21N3O2S/c28-22(16-11-18-7-3-1-4-8-18)25-20-12-14-21(15-13-20)30-17-23-26-27-24(29-23)19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2,(H,25,28)

InChI Key

ZIUMANUSWQDXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-4.89

Polar Surface Area

53.026

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

L398-0013 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 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 L398-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0013?
Check Price and Availability of L398-0013, 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 L398-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0013
  • 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 L398-0013 available by request