V016-6072 Screening compound: 1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-1-one

V016-6072 Screening compound: 1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-1-one
V016-6072 Screening compound: 1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6072
1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-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

V016-6072

Molecular Formula

C20H27F3N2O (C20 H27 F3 N2 O)

Compound Name

1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-1-one

IUPAC name

1-{3-[(piperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl}propan-1-one

SMILES

CCC(N(CC1CN2CCCCC2)CC1c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C20H27F3N2O/c1-2-19(26)25-13-16(12-24-9-4-3-5-10-24)18(14-25)15-7-6-8-17(11-15)20(21,22)23/h6-8,11,16,18H,2-5,9-10,12-14H2,1H3

InChI Key

DHCXPAPOOUJFQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922101

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-4.04

Polar Surface Area

20.325

Acid Dissociation Constant (pKa)

23.83

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

V016-6072 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V016-6072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6072?
Check Price and Availability of V016-6072, 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 V016-6072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6072
  • 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 V016-6072 available by request