D678-0381 Screening compound: 4,4,4-trifluoro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide

D678-0381 Screening compound: 4,4,4-trifluoro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide
D678-0381 Screening compound: 4,4,4-trifluoro-N-{[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D678-0381
4,4,4-trifluoro-N-{[5-(3-methylphenyl)-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

D678-0381

Molecular Formula

C14H14F3N3O2 (C14 H14 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nc(CNC(CCC(F)(F)F)=O)no2)c1

InChI

InChI=1S/C14H14F3N3O2/c1-9-3-2-4-10(7-9)13-19-11(20-22-13)8-18-12(21)5-6-14(15,16)17/h2-4,7H,5-6,8H2,1H3,(H,18,21)

InChI Key

VKAJDUKIRCEYMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.28

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

2.577

Distribution Coefficient, logD

2.577

Water Solubility, LogSw

-2.80

Polar Surface Area

57.378

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D678-0381 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D678-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D678-0381?
Check Price and Availability of D678-0381, 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 D678-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D678-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D678-0381
  • 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 D678-0381 available by request