L398-0014 Screening compound: 3-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)butanamide

L398-0014 Screening compound: 3-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)butanamide
L398-0014 Screening compound: 3-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0014
3-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)butanamide

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

L398-0014

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-14(2)12-18(24)21-16-8-10-17(11-9-16)26-13-19-22-23-20(25-19)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)

InChI Key

NGQOEJBUCIIKPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09781097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

4.325

Water Solubility, LogSw

-4.14

Polar Surface Area

53.298

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L398-0014 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L398-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0014?
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What is the minimum amount of L398-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0014
  • 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 L398-0014 available by request