V003-7646 Screening compound: 2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl)ethan-1-one

V003-7646 Screening compound: 2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl)ethan-1-one
V003-7646 Screening compound: 2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-7646
2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]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

V003-7646

Molecular Formula

C32H36F3N3O3 (C32 H36 F3 N3 O3)

Compound Name

2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(4-methoxyphenyl)-1-(3-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}-4-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl)ethan-1-one

SMILES

COc1ccc(CC(N(CC2CN(CC3)CCN3c3cc(OC)ccc3)CC2c2cccc(C(F)(F)F)c2)=O)cc1

InChI

InChI=1S/C32H36F3N3O3/c1-40-28-11-9-23(10-12-28)17-31(39)38-21-25(30(22-38)24-5-3-6-26(18-24)32(33,34)35)20-36-13-15-37(16-14-36)27-7-4-8-29(19-27)41-2/h3-12,18-19,25,30H,13-17,20-22H2,1-2H3

InChI Key

ZXXOGPRLYYFKCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922134

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

567.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.774

Distribution Coefficient, logD

5.162

Water Solubility, LogSw

-5.58

Polar Surface Area

38.401

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.60

V003-7646 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V003-7646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-7646?
Check Price and Availability of V003-7646, 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 V003-7646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-7646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-7646
  • 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 V003-7646 available by request