V018-6835 Screening compound: 1-{3-(piperidinomethyl)-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}-2-(2-thienyl)-1-ethanone

V018-6835 Screening compound: 1-{3-(piperidinomethyl)-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}-2-(2-thienyl)-1-ethanone
V018-6835 Screening compound: 1-{3-(piperidinomethyl)-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6835
1-{3-(piperidinomethyl)-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}-2-(2-thienyl)-1-ethanone

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

V018-6835

Molecular Formula

C23H27F3N2OS (C23 H27 F3 N2 OS)

Compound Name

1-{3-(piperidinomethyl)-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}-2-(2-thienyl)-1-ethanone

IUPAC name

n/a

SMILES

O=C(Cc1cccs1)N(CC1CN2CCCCC2)CC1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C23H27F3N2OS/c24-23(25,26)19-7-4-6-17(12-19)21-16-28(22(29)13-20-8-5-11-30-20)15-18(21)14-27-9-2-1-3-10-27/h4-8,11-12,18,21H,1-3,9-10,13-16H2

InChI Key

QPTCKGVYIFZZMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-4.34

Polar Surface Area

21.072

Acid Dissociation Constant (pKa)

22.37

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.20

V018-6835 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V018-6835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-6835?
Check Price and Availability of V018-6835, 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 V018-6835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6835
  • 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 V018-6835 available by request