V014-3561 Screening compound: 2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one

V014-3561 Screening compound: 2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one
V014-3561 Screening compound: 2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3561
2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-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

V014-3561

Molecular Formula

C28H35F2N3O (C28 H35 F2 N3 O)

Compound Name

2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-cyclopentyl-1-[3-(3-fluorophenyl)-4-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}pyrrolidin-1-yl]ethan-1-one

SMILES

O=C(CC1CCCC1)N(CC1CN(CC2)CCN2c(cc2)ccc2F)CC1c1cccc(F)c1

InChI

InChI=1S/C28H35F2N3O/c29-24-8-10-26(11-9-24)32-14-12-31(13-15-32)18-23-19-33(28(34)16-21-4-1-2-5-21)20-27(23)22-6-3-7-25(30)17-22/h3,6-11,17,21,23,27H,1-2,4-5,12-16,18-20H2

InChI Key

LNWPODKRODJBLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922192

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.088

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-5.22

Polar Surface Area

23.872

Acid Dissociation Constant (pKa)

23.97

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.60

V014-3561 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V014-3561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3561?
Check Price and Availability of V014-3561, 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 V014-3561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3561
  • 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 V014-3561 available by request