F252-0586 Screening compound: N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide

F252-0586 Screening compound: N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide
F252-0586 Screening compound: N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F252-0586
N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide

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

F252-0586

Molecular Formula

C28H26FN3O2 (C28 H26 FN3 O2)

Compound Name

N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide

IUPAC name

N-[2-(4-benzylpiperidine-1-carbonyl)-5-fluoro-1H-indol-3-yl]benzamide

SMILES

O=C(c([nH]c(cc1)c2cc1F)c2NC(c1ccccc1)=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C28H26FN3O2/c29-22-11-12-24-23(18-22)25(31-27(33)21-9-5-2-6-10-21)26(30-24)28(34)32-15-13-20(14-16-32)17-19-7-3-1-4-8-19/h1-12,18,20,30H,13-17H2,(H,31,33)

InChI Key

MBFPWEBLJCWFMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27109620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.768

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.96

Polar Surface Area

48.430

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

F252-0586 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F252-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F252-0586?
Check Price and Availability of F252-0586, 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 F252-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F252-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F252-0586
  • 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 F252-0586 available by request