V005-0399 Screening compound: 1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine

V005-0399 Screening compound: 1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine
V005-0399 Screening compound: 1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0399
1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine

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

V005-0399

Molecular Formula

C30H31F4N3O2 (C30 H31 F4 N3 O2)

Compound Name

1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine

IUPAC name

1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}-4-(3-methoxyphenyl)piperazine

SMILES

COc1cccc(N2CCN(CC(CN(C3)C(c(cc4)ccc4F)=O)C3c3cc(C(F)(F)F)ccc3)CC2)c1

InChI

InChI=1S/C30H31F4N3O2/c1-39-27-7-3-6-26(17-27)36-14-12-35(13-15-36)18-23-19-37(29(38)21-8-10-25(31)11-9-21)20-28(23)22-4-2-5-24(16-22)30(32,33)34/h2-11,16-17,23,28H,12-15,18-20H2,1H3

InChI Key

PFYCXLBTXSSNCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

4.926

Water Solubility, LogSw

-5.47

Polar Surface Area

31.385

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.70

V005-0399 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V005-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0399?
Check Price and Availability of V005-0399, 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 V005-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0399
  • 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 V005-0399 available by request