G886-0125 Screening compound: 2-[(4-FLUOROBENZYL)SULFANYL]-1-[4-(4-PYRIDYL)PIPERIDINO]-1-ETHANONE

G886-0125 Screening compound: 2-[(4-FLUOROBENZYL)SULFANYL]-1-[4-(4-PYRIDYL)PIPERIDINO]-1-ETHANONE
G886-0125 Screening compound: 2-[(4-FLUOROBENZYL)SULFANYL]-1-[4-(4-PYRIDYL)PIPERIDINO]-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G886-0125
2-[(4-FLUOROBENZYL)SULFANYL]-1-[4-(4-PYRIDYL)PIPERIDINO]-1-ETHANONE

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

G886-0125

Molecular Formula

C19H21FN2OS (C19 H21 FN2 OS)

Compound Name

2-[(4-FLUOROBENZYL)SULFANYL]-1-[4-(4-PYRIDYL)PIPERIDINO]-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(CSCc(cc1)ccc1F)N(CC1)CCC1c1ccncc1

InChI

InChI=1S/C19H21FN2OS/c20-18-3-1-15(2-4-18)13-24-14-19(23)22-11-7-17(8-12-22)16-5-9-21-10-6-16/h1-6,9-10,17H,7-8,11-14H2

InChI Key

DRXWEOKOLIJGJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.415

Distribution Coefficient, logD

3.368

Water Solubility, LogSw

-3.31

Polar Surface Area

25.516

Acid Dissociation Constant (pKa)

23.00

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

G886-0125 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 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
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G886-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G886-0125?
Check Price and Availability of G886-0125, 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 G886-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G886-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G886-0125
  • 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 G886-0125 available by request