5013-0002 Screening compound: 4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine

5013-0002 Screening compound: 4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine
5013-0002 Screening compound: 4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5013-0002
4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine

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

5013-0002

Molecular Formula

C15H20FN3O3 (C15 H20 FN3 O3)

Compound Name

4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine

IUPAC name

4-[4-fluoro-2-nitro-5-(piperidin-1-yl)phenyl]morpholine

SMILES

[O-][N+](c(c(N1CCOCC1)c1)cc(F)c1N1CCCCC1)=O

InChI

InChI=1S/C15H20FN3O3/c16-12-10-15(19(20)21)14(18-6-8-22-9-7-18)11-13(12)17-4-2-1-3-5-17/h10-11H,1-9H2

InChI Key

LRFVMXSVLPIEKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.851

Water Solubility, LogSw

-3.34

Polar Surface Area

47.531

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

5013-0002 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5013-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5013-0002?
Check Price and Availability of 5013-0002, 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 5013-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5013-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5013-0002
  • 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 5013-0002 available by request