V002-5748 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}-3-[3-(trifluoromethyl)phenyl]-1-propanone

V002-5748 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}-3-[3-(trifluoromethyl)phenyl]-1-propanone
V002-5748 Screening compound: 3-(1-methyl-1H-indol-3-yl)-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}-3-[3-(trifluoromethyl)phenyl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-5748
3-(1-methyl-1H-indol-3-yl)-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}-3-[3-(trifluoromethyl)phenyl]-1-propanone

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

V002-5748

Molecular Formula

C32H32F3N3O (C32 H32 F3 N3 O)

Compound Name

3-(1-methyl-1H-indol-3-yl)-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}-3-[3-(trifluoromethyl)phenyl]-1-propanone

IUPAC name

3-(1-methyl-1H-indol-3-yl)-1-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-3-[3-(trifluoromethyl)phenyl]propan-1-one

SMILES

Cn1c(cccc2)c2c(C(CC(N2CCN(C/C=C/c3ccccc3)CC2)=O)c2cccc(C(F)(F)F)c2)c1

InChI

InChI=1S/C32H32F3N3O/c1-36-23-29(27-14-5-6-15-30(27)36)28(25-12-7-13-26(21-25)32(33,34)35)22-31(39)38-19-17-37(18-20-38)16-8-11-24-9-3-2-4-10-24/h2-15,21,23,28H,16-20,22H2,1H3/t28-/m1/s1

InChI Key

ITSIBSIILIFDPJ-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19852216

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.263

Distribution Coefficient, logD

6.259

Water Solubility, LogSw

-5.85

Polar Surface Area

22.166

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.13

V002-5748 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V002-5748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-5748?
Check Price and Availability of V002-5748, 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 V002-5748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-5748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-5748
  • 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 V002-5748 available by request