D109-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)butanamide

D109-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)butanamide
D109-0082 Screening compound: 2-(4-fluorophenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D109-0082
2-(4-fluorophenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)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

D109-0082

Molecular Formula

C13H14FN3O3 (C13 H14 FN3 O3)

Compound Name

2-(4-fluorophenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)butanamide

IUPAC name

2-(4-fluorophenoxy)-N-(4-methyl-125-oxadiazol-3-yl)butanamide

SMILES

CCC(C(Nc1nonc1C)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C13H14FN3O3/c1-3-11(19-10-6-4-9(14)5-7-10)13(18)15-12-8(2)16-20-17-12/h4-7,11H,3H2,1-2H3,(H,15,17,18)/t11-/m0/s1

InChI Key

YZTUBTQPXUCJGA-NSHDSACASA-N

MDL Number (MFCD)

MFCD12916255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.780

Water Solubility, LogSw

-3.18

Polar Surface Area

66.836

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

D109-0082 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D109-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D109-0082?
Check Price and Availability of D109-0082, 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 D109-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D109-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D109-0082
  • 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 D109-0082 available by request