D679-0530 Screening compound: 3,3,3-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide

D679-0530 Screening compound: 3,3,3-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide
D679-0530 Screening compound: 3,3,3-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0530
3,3,3-trifluoro-N-{[5-(phenoxymethyl)-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

D679-0530

Molecular Formula

C13H12F3N3O3 (C13 H12 F3 N3 O3)

Compound Name

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

IUPAC name

333-trifluoro-N-{[5-(phenoxymethyl)-124-oxadiazol-3-yl]methyl}propanamide

SMILES

O=C(CC(F)(F)F)NCc1noc(COc2ccccc2)n1

InChI

InChI=1S/C13H12F3N3O3/c14-13(15,16)6-11(20)17-7-10-18-12(22-19-10)8-21-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,20)

InChI Key

NKOAFXBIDUAHAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.984

Water Solubility, LogSw

-2.15

Polar Surface Area

64.543

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D679-0530 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D679-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0530?
Check Price and Availability of D679-0530, 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 D679-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0530
  • 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 D679-0530 available by request