V014-8689 Screening compound: 1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

V014-8689 Screening compound: 1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine
V014-8689 Screening compound: 1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8689
1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

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

V014-8689

Molecular Formula

C23H29F3N2S (C23 H29 F3 N2 S)

Compound Name

1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

IUPAC name

1-({1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}methyl)piperidine

SMILES

Cc1c(CN(CC2CN3CCCCC3)CC2c2cc(C(F)(F)F)ccc2)scc1

InChI

InChI=1S/C23H29F3N2S/c1-17-8-11-29-22(17)16-28-14-19(13-27-9-3-2-4-10-27)21(15-28)18-6-5-7-20(12-18)23(24,25)26/h5-8,11-12,19,21H,2-4,9-10,13-16H2,1H3

InChI Key

ZFZHGVWLLCDCLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19928037

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-5.52

Polar Surface Area

8.683

Acid Dissociation Constant (pKa)

23.31

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.50

V014-8689 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Anti-HIV1 Library (19540 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-8689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8689?
Check Price and Availability of V014-8689, 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 V014-8689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8689
  • 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 V014-8689 available by request