F154-0589 Screening compound: 4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

F154-0589 Screening compound: 4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
F154-0589 Screening compound: 4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F154-0589
4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]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

F154-0589

Molecular Formula

C27H27ClFN5OS (C27 H27 ClFN5 OS)

Compound Name

4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

IUPAC name

4-[(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

SMILES

O=C(c1ccc(Cn2c(SCc(ccc(F)c3)c3Cl)nc3c2cncc3)cc1)NCCN1CCCC1

InChI

InChI=1S/C27H27ClFN5OS/c28-23-15-22(29)8-7-21(23)18-36-27-32-24-9-10-30-16-25(24)34(27)17-19-3-5-20(6-4-19)26(35)31-11-14-33-12-1-2-13-33/h3-10,15-16H,1-2,11-14,17-18H2,(H,31,35)

InChI Key

GNYXPCBSEXDCJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27105990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.053

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-5.36

Polar Surface Area

48.599

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

F154-0589 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Nucleic Acid Ligands (8311 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F154-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F154-0589?
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What is the minimum amount of F154-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F154-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F154-0589
  • 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 F154-0589 available by request