V016-3519 Screening compound: 8-{[5-(2,4-difluorophenyl)-3-pyridyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

V016-3519 Screening compound: 8-{[5-(2,4-difluorophenyl)-3-pyridyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane
V016-3519 Screening compound: 8-{[5-(2,4-difluorophenyl)-3-pyridyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-3519
8-{[5-(2,4-difluorophenyl)-3-pyridyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

V016-3519

Molecular Formula

C19H20F2N2O2 (C19 H20 F2 N2 O2)

Compound Name

8-{[5-(2,4-difluorophenyl)-3-pyridyl]methyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{[5-(24-difluorophenyl)pyridin-3-yl]methyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Fc(cc1)cc(F)c1-c1cncc(CN(CC2)CCC22OCCO2)c1

InChI

InChI=1S/C19H20F2N2O2/c20-16-1-2-17(18(21)10-16)15-9-14(11-22-12-15)13-23-5-3-19(4-6-23)24-7-8-25-19/h1-2,9-12H,3-8,13H2

InChI Key

HXRQJCLLXCHCDQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

346.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.515

Water Solubility, LogSw

-2.91

Polar Surface Area

27.744

Acid Dissociation Constant (pKa)

26.11

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

V016-3519 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V016-3519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-3519?
Check Price and Availability of V016-3519, 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 V016-3519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-3519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-3519
  • 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 V016-3519 available by request