D679-0281 Screening compound: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylbutanamide

D679-0281 Screening compound: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylbutanamide
D679-0281 Screening compound: N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0281
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylbutanamide

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

D679-0281

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylbutanamide

IUPAC name

N-[(5-benzyl-124-oxadiazol-3-yl)methyl]-2-phenylbutanamide

SMILES

CCC(C(NCc1noc(Cc2ccccc2)n1)=O)c1ccccc1

InChI

InChI=1S/C20H21N3O2/c1-2-17(16-11-7-4-8-12-16)20(24)21-14-18-22-19(25-23-18)13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3,(H,21,24)/t17-/m1/s1

InChI Key

VISGAWOOYFZUOD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27596171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.01

Polar Surface Area

56.985

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

D679-0281 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 D679-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0281?
Check Price and Availability of D679-0281, 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 D679-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0281
  • 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 D679-0281 available by request