L398-0212 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,5-dimethoxybenzamide

L398-0212 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,5-dimethoxybenzamide
L398-0212 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0212
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-3,5-dimethoxybenzamide

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

L398-0212

Molecular Formula

C25H21N3O6S (C25 H21 N3 O6 S)

Compound Name

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

IUPAC name

N-[4-({[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]methyl}sulfanyl)phenyl]-35-dimethoxybenzamide

SMILES

COc1cc(C(Nc(cc2)ccc2SCc2nnc(-c(cc3)cc4c3OCO4)o2)=O)cc(OC)c1

InChI

InChI=1S/C25H21N3O6S/c1-30-18-9-16(10-19(12-18)31-2)24(29)26-17-4-6-20(7-5-17)35-13-23-27-28-25(34-23)15-3-8-21-22(11-15)33-14-32-21/h3-12H,13-14H2,1-2H3,(H,26,29)

InChI Key

VEGJXFCRFJVGEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.52

Polar Surface Area

85.442

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L398-0212 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 L398-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0212?
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What is the minimum amount of L398-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0212
  • 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 L398-0212 available by request