D424-0111 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol

D424-0111 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol
D424-0111 Screening compound: 2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D424-0111
2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol

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

D424-0111

Molecular Formula

C22H25FN2O (C22 H25 FN2 O)

Compound Name

2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol

IUPAC name

2-(4-benzylpiperidin-1-yl)-1-(5-fluoro-1H-indol-3-yl)ethan-1-ol

SMILES

OC(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c(cc2)c1cc2F

InChI

InChI=1S/C22H25FN2O/c23-18-6-7-21-19(13-18)20(14-24-21)22(26)15-25-10-8-17(9-11-25)12-16-4-2-1-3-5-16/h1-7,13-14,17,22,24,26H,8-12,15H2/t22-/m0/s1

InChI Key

FTSALQASLFJFPG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27585285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.29

Polar Surface Area

29.722

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D424-0111 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D424-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D424-0111?
Check Price and Availability of D424-0111, 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 D424-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D424-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D424-0111
  • 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 D424-0111 available by request