L398-0051 Screening compound: N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)cyclopropanecarboxamide

L398-0051 Screening compound: N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)cyclopropanecarboxamide
L398-0051 Screening compound: N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0051
N-(4-{[(5-phenyl-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

L398-0051

Molecular Formula

C19H17N3O2S (C19 H17 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CC1)Nc(cc1)ccc1SCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C19H17N3O2S/c23-18(13-6-7-13)20-15-8-10-16(11-9-15)25-12-17-21-22-19(24-17)14-4-2-1-3-5-14/h1-5,8-11,13H,6-7,12H2,(H,20,23)

InChI Key

WVBORGZIPCWIKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27251364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.43

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

3.710

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.09

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

21.10

L398-0051 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 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 L398-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0051?
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What is the minimum amount of L398-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0051
  • 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 L398-0051 available by request