V003-9451 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole

V003-9451 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole
V003-9451 Screening compound: 1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9451
1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole

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

V003-9451

Molecular Formula

C25H26F4N2O2 (C25 H26 F4 N2 O2)

Compound Name

1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole

IUPAC name

1-(2-ethoxyethyl)-3-{1-[4-fluoro-3-(trifluoromethyl)benzoyl]piperidin-4-yl}-1H-indole

SMILES

CCOCCn1c(cccc2)c2c(C(CC2)CCN2C(c(cc2)cc(C(F)(F)F)c2F)=O)c1

InChI

InChI=1S/C25H26F4N2O2/c1-2-33-14-13-31-16-20(19-5-3-4-6-23(19)31)17-9-11-30(12-10-17)24(32)18-7-8-22(26)21(15-18)25(27,28)29/h3-8,15-17H,2,9-14H2,1H3

InChI Key

KGOLVLXTMOEHNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19952203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.790

Distribution Coefficient, logD

4.790

Water Solubility, LogSw

-4.65

Polar Surface Area

26.575

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V003-9451 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-9451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9451?
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What is the minimum amount of V003-9451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9451
  • 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 V003-9451 available by request