D679-0796 Screening compound: 3-phenyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

D679-0796 Screening compound: 3-phenyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
D679-0796 Screening compound: 3-phenyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0796
3-phenyl-N-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}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

D679-0796

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

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

IUPAC name

3-phenyl-N-{[5-(propan-2-yl)-124-oxadiazol-3-yl]methyl}propanamide

SMILES

CC(C)c1nc(CNC(CCc2ccccc2)=O)no1

InChI

InChI=1S/C15H19N3O2/c1-11(2)15-17-13(18-20-15)10-16-14(19)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,19)

InChI Key

LWHUMQZFGVYHNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.32

Polar Surface Area

57.378

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D679-0796 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D679-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0796?
Check Price and Availability of D679-0796, 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 D679-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0796
  • 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 D679-0796 available by request