L398-0206 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-phenylpropanamide

L398-0206 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-phenylpropanamide
L398-0206 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0206
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-phenylpropanamide

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

L398-0206

Molecular Formula

C25H21N3O4S (C25 H21 N3 O4 S)

Compound Name

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

IUPAC name

N-[4-({[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3-phenylpropanamide

SMILES

O=C(CCc1ccccc1)Nc(cc1)ccc1SCc1nnc(-c(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C25H21N3O4S/c29-23(13-6-17-4-2-1-3-5-17)26-19-8-10-20(11-9-19)33-15-24-27-28-25(32-24)18-7-12-21-22(14-18)31-16-30-21/h1-5,7-12,14H,6,13,15-16H2,(H,26,29)

InChI Key

IXOPOSLUSAIWCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.850

Water Solubility, LogSw

-4.92

Polar Surface Area

70.141

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L398-0206 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with L398-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0206?
Check Price and Availability of L398-0206, 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 L398-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0206
  • 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 L398-0206 available by request