V031-1323 Screening compound: {4-[1-(3-fluorobenzyl)-1H-indol-3-yl]piperidino}[2-(trifluoromethoxy)phenyl]methanone

V031-1323 Screening compound: {4-[1-(3-fluorobenzyl)-1H-indol-3-yl]piperidino}[2-(trifluoromethoxy)phenyl]methanone
V031-1323 Screening compound: {4-[1-(3-fluorobenzyl)-1H-indol-3-yl]piperidino}[2-(trifluoromethoxy)phenyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1323
{4-[1-(3-fluorobenzyl)-1H-indol-3-yl]piperidino}[2-(trifluoromethoxy)phenyl]methanone

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

V031-1323

Molecular Formula

C28H24F4N2O2 (C28 H24 F4 N2 O2)

Compound Name

{4-[1-(3-fluorobenzyl)-1H-indol-3-yl]piperidino}[2-(trifluoromethoxy)phenyl]methanone

IUPAC name

1-[(3-fluorophenyl)methyl]-3-{1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl}-1H-indole

SMILES

O=C(c(cccc1)c1OC(F)(F)F)N(CC1)CCC1c1cn(Cc2cccc(F)c2)c2c1cccc2

InChI

InChI=1S/C28H24F4N2O2/c29-21-7-5-6-19(16-21)17-34-18-24(22-8-1-3-10-25(22)34)20-12-14-33(15-13-20)27(35)23-9-2-4-11-26(23)36-28(30,31)32/h1-11,16,18,20H,12-15,17H2

InChI Key

UAIIJFXECHBRIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952157

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

496.5

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

6.366

Distribution Coefficient, logD

6.366

Water Solubility, LogSw

-6.14

Polar Surface Area

24.371

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V031-1323 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V031-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1323?
Check Price and Availability of V031-1323, 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 V031-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1323
  • 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 V031-1323 available by request