L398-0251 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide

L398-0251 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide
L398-0251 Screening compound: N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0251
N-[4-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclohexanecarboxamide

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

L398-0251

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CCCCC1)Nc(cc1)ccc1SCc1nnc(-c(cc2)cc3c2OCO3)o1

InChI

InChI=1S/C23H23N3O4S/c27-22(15-4-2-1-3-5-15)24-17-7-9-18(10-8-17)31-13-21-25-26-23(30-21)16-6-11-19-20(12-16)29-14-28-19/h6-12,15H,1-5,13-14H2,(H,24,27)

InChI Key

ADMZYEIERQYYKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.578

Water Solubility, LogSw

-4.45

Polar Surface Area

70.547

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

L398-0251 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

SmartTM Library (51161 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 L398-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0251?
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What is the minimum amount of L398-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0251
  • 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 L398-0251 available by request