8012-2168 Screening compound: 1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one

8012-2168 Screening compound: 1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one
8012-2168 Screening compound: 1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2168
1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one

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

8012-2168

Molecular Formula

C15H20FNO2 (C15 H20 FNO2)

Compound Name

1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one

IUPAC name

1-[5-fluoro-2-methyl-4-(morpholin-4-yl)phenyl]butan-1-one

SMILES

CCCC(c(c(C)c1)cc(F)c1N1CCOCC1)=O

InChI

InChI=1S/C15H20FNO2/c1-3-4-15(18)12-10-13(16)14(9-11(12)2)17-5-7-19-8-6-17/h9-10H,3-8H2,1-2H3

InChI Key

KCVBIAQOQBUVLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02814795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.142

Water Solubility, LogSw

-3.27

Polar Surface Area

24.545

Acid Dissociation Constant (pKa)

21.28

Base Dissociation Constant (pKb)

-0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8012-2168 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8012-2168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2168?
Check Price and Availability of 8012-2168, 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 8012-2168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2168
  • 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 8012-2168 available by request