L398-0049 Screening compound: 2-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

L398-0049 Screening compound: 2-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide
L398-0049 Screening compound: 2-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L398-0049
2-methyl-N-(4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}phenyl)propanamide

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

L398-0049

Molecular Formula

C19H19N3O2S (C19 H19 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H19N3O2S/c1-13(2)18(23)20-15-8-10-16(11-9-15)25-12-17-21-22-19(24-17)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,20,23)

InChI Key

DICJJLURPXFYQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.44

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

3.867

Distribution Coefficient, logD

3.867

Water Solubility, LogSw

-3.92

Polar Surface Area

53.511

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

L398-0049 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L398-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L398-0049?
Check Price and Availability of L398-0049, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L398-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L398-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L398-0049
  • 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 L398-0049 available by request