D679-0556 Screening compound: 4,4,4-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide

D679-0556 Screening compound: 4,4,4-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide
D679-0556 Screening compound: 4,4,4-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0556
4,4,4-trifluoro-N-{[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}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

D679-0556

Molecular Formula

C14H14F3N3O3 (C14 H14 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H14F3N3O3/c15-14(16,17)7-6-12(21)18-8-11-19-13(23-20-11)9-22-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,18,21)

InChI Key

MERYLJKAHMENRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.42

Polar Surface Area

64.543

Acid Dissociation Constant (pKa)

14.49

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D679-0556 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D679-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0556?
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What is the minimum amount of D679-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0556
  • 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 D679-0556 available by request