L398-0176 Screening compound: N-[4-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide

L398-0176 Screening compound: N-[4-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide
L398-0176 Screening compound: N-[4-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0176
N-[4-({[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide

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

L398-0176

Molecular Formula

C20H19N3O2S (C20 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1-c1nnc(CSc(cc2)ccc2NC(C2CC2)=O)o1

InChI

InChI=1S/C20H19N3O2S/c1-13-4-2-3-5-17(13)20-23-22-18(25-20)12-26-16-10-8-15(9-11-16)21-19(24)14-6-7-14/h2-5,8-11,14H,6-7,12H2,1H3,(H,21,24)

InChI Key

BBCYNTYSONZNHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.04

Polar Surface Area

53.763

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L398-0176 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L398-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0176?
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What is the minimum amount of L398-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0176
  • 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 L398-0176 available by request