V016-0080 Screening compound: 2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]acetamide

V016-0080 Screening compound: 2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]acetamide
V016-0080 Screening compound: 2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-0080
2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]acetamide

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

V016-0080

Molecular Formula

C26H27F3N4O2 (C26 H27 F3 N4 O2)

Compound Name

2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-1,4-diazepan-1-yl)pyridin-3-yl]acetamide

IUPAC name

2-phenoxy-N-[6-(4-{[2-(trifluoromethyl)phenyl]methyl}-14-diazepan-1-yl)pyridin-3-yl]acetamide

SMILES

O=C(COc1ccccc1)Nc(cc1)cnc1N1CCN(Cc2c(C(F)(F)F)cccc2)CCC1

InChI

InChI=1S/C26H27F3N4O2/c27-26(28,29)23-10-5-4-7-20(23)18-32-13-6-14-33(16-15-32)24-12-11-21(17-30-24)31-25(34)19-35-22-8-2-1-3-9-22/h1-5,7-12,17H,6,13-16,18-19H2,(H,31,34)

InChI Key

OIJKUBUIPXHDII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19912356

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.388

Water Solubility, LogSw

-5.44

Polar Surface Area

46.540

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

V016-0080 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V016-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-0080?
Check Price and Availability of V016-0080, 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 V016-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-0080
  • 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 V016-0080 available by request