5607-0050 Screening compound: 1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane

5607-0050 Screening compound: 1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane
5607-0050 Screening compound: 1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 5607-0050
1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane

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

5607-0050

Molecular Formula

C18H25FN2O (C18 H25 FN2 O)

Compound Name

1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane

IUPAC name

1-[1-(2-fluorobenzoyl)piperidin-4-yl]azepane

SMILES

O=C(c(cccc1)c1F)N(CC1)CCC1N1CCCCCC1

InChI

InChI=1S/C18H25FN2O/c19-17-8-4-3-7-16(17)18(22)21-13-9-15(10-14-21)20-11-5-1-2-6-12-20/h3-4,7-8,15H,1-2,5-6,9-14H2

InChI Key

BFXZXEODMDYYIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03142586

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

-0.332

Water Solubility, LogSw

-3.35

Polar Surface Area

20.311

Acid Dissociation Constant (pKa)

27.90

Base Dissociation Constant (pKb)

10.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

5607-0050 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

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 5607-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5607-0050?
Check Price and Availability of 5607-0050, 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 5607-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5607-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5607-0050
  • 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 5607-0050 available by request